UCSF

ZINC44693303

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) -0.45 1.93 -59.62 1 6 -1 88 230.24 8
Lo Low (pH 4.5-6) -0.45 -0.02 -16.15 2 6 0 85 231.248 8

Activity (Go SEA)

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