UCSF

ZINC34675445

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 3.77 9.2 -17.82 1 6 0 62 475.564 9
Mid Mid (pH 6-8) 3.77 11.47 -51.38 2 6 1 63 476.572 9

Activity (Go SEA)

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