UCSF

ZINC13729911

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 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) 3.57 10.8 -46.57 2 4 1 48 367.444 9
Lo Low (pH 4.5-6) 3.57 11.08 -110.05 3 4 2 49 368.452 9

Activity (Go SEA)

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