UCSF

ZINC34667330

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 0.09 1.57 -13.18 1 7 0 71 366.458 10
Mid Mid (pH 6-8) 0.09 3.9 -55.42 2 7 1 73 367.466 10

Activity (Go SEA)

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