UCSF

ZINC42747379

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 1.52 6.07 -31.6 3 3 1 40 265.421 6
Mid Mid (pH 6-8) 1.52 6.37 -116.53 4 3 2 41 266.429 6

Activity (Go SEA)

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