UCSF

ZINC00905016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 29 No

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) 1.78 5.56 -61.17 0 7 -1 86 395.435 7
Mid Mid (pH 6-8) 2.23 8.18 -49.81 2 7 1 84 397.451 6
Mid Mid (pH 6-8) 1.78 7.88 -79.43 1 7 0 87 396.443 7

Activity (Go SEA)

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