UCSF

ZINC44685962

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 3.75 8.19 -43.62 2 2 1 20 291.846 4
Lo Low (pH 4.5-6) 3.75 10.58 -117.96 3 2 2 21 292.854 4

Activity (Go SEA)

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