UCSF

ZINC34681633

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 5.53 14.52 -45.27 2 6 1 59 473.641 7
Lo Low (pH 4.5-6) 5.53 14.84 -101.82 3 6 2 60 474.649 7

Activity (Go SEA)

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