UCSF

ZINC13478600

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 34 Yes

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) 3.01 2.17 -66.84 3 9 -1 140 509.004 9
Mid Mid (pH 6-8) 2.53 -1.72 -52.27 5 9 1 142 511.02 9
Mid Mid (pH 6-8) 2.53 -0.38 -49.63 5 9 1 142 511.02 9
Mid Mid (pH 6-8) 2.53 -1.53 -51.27 5 9 1 142 511.02 9
Mid Mid (pH 6-8) 2.53 -0.18 -48.52 5 9 1 142 511.02 9
Lo Low (pH 4.5-6) 3.38 4.11 -22.31 4 9 0 134 510.012 8

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

No pre-computed analogs available. Try a structural similarity search.