UCSF

ZINC34681469

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 3.64 10.94 -45.64 2 6 1 63 431.438 6
Mid Mid (pH 6-8) 3.64 8.72 -11.79 1 6 0 62 430.43 6

Activity (Go SEA)

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