UCSF

ZINC44941984

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 25 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) 0.54 6.99 -48.79 2 6 1 67 343.451 4
Lo Low (pH 4.5-6) 0.54 7.4 -84.43 3 6 2 68 344.459 4

Activity (Go SEA)

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