UCSF

ZINC49018888

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 30 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) -0.49 -0.73 -16.11 4 12 0 147 421.458 7
Mid Mid (pH 6-8) -0.49 1.53 -49.67 5 12 1 148 422.466 7

Activity (Go SEA)

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