UCSF

ZINC64858107

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2011 34 No

CAS Number: 73836-78-9

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) 1.81 10.6 -96.53 5 8 -1 157 495.662 20
Mid Mid (pH 6-8) 1.81 10.25 -92.7 4 8 -2 156 494.654 20
Lo Low (pH 4.5-6) 1.81 8.3 -65.14 6 8 0 154 496.67 20

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