UCSF

ZINC00587234

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 27 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) 3.17 -4.25 -44.9 3 6 1 72 381.529 6
Lo Low (pH 4.5-6) 3.17 -4.15 -89 4 6 2 73 382.537 6

Activity (Go SEA)

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