UCSF

ZINC33754020

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 16 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) -1.17 5.35 -16.93 1 6 0 74 220.232 3
Lo Low (pH 4.5-6) -1.17 5.8 -46.53 2 6 1 75 221.24 3

Activity (Go SEA)

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