UCSF

ZINC13711632

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 37 No

Popular Name: (5S)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(3-nitrophenyl)- (5S)-4-(2,3-dihydro-1,4-benzodio…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 7.14 -56.47 0 11 -1 137 508.507 8 ↓
Mid Mid (pH 6-8) 2.41 8.38 -66.95 2 11 1 136 510.523 7 ↓
Mid Mid (pH 6-8) 1.38 9.4 -67.2 1 11 1 132 510.523 8 ↓
Mid Mid (pH 6-8) 1.97 9.48 -75.86 1 11 0 138 509.515 8 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )