UCSF

ZINC34464214

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 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) 2.62 6.11 -46.07 1 3 -1 60 201.286 8
Lo Low (pH 4.5-6) 2.62 4.13 -8.11 2 3 0 58 202.294 8

Activity (Go SEA)

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