UCSF

ZINC53654928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 3.73 8.15 -42.02 2 2 1 20 344.292 6
Lo Low (pH 4.5-6) 3.73 10.38 -113.14 3 2 2 21 345.3 6

Activity (Go SEA)

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