UCSF

ZINC00506992

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 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) 2.02 0.17 -6.71 0 2 0 16 172.231 1
Lo Low (pH 4.5-6) 2.02 0.27 -29.16 1 2 1 17 173.239 1

Activity (Go SEA)

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