UCSF

ZINC44517025

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) 1.54 3.53 -98.33 5 4 2 61 252.358 4
Hi High (pH 8-9.5) 1.54 4.44 -74.95 4 4 1 64 251.35 4

Activity (Go SEA)

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