UCSF

ZINC29330780

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 23 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) 2.01 7.12 -44.5 1 4 1 40 316.421 2
Mid Mid (pH 6-8) 2.01 4.84 -6.71 0 4 0 39 315.413 2

Activity (Go SEA)

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