UCSF

ZINC13641930

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 21 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) 2.39 4.4 -17.02 1 6 0 81 347.172 2
Lo Low (pH 4.5-6) 2.39 4.19 -46.76 2 6 1 82 348.18 2

Activity (Go SEA)

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