UCSF

ZINC44518852

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 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) 1.12 4.92 -82.95 4 3 2 35 241.423 3
Mid Mid (pH 6-8) 1.12 6.58 -89.2 4 3 2 35 241.423 3
Lo Low (pH 4.5-6) 1.12 6.91 -174.71 5 3 3 37 242.431 3

Activity (Go SEA)

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