UCSF

ZINC44114713

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 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) 1.56 4.31 -32.97 2 4 1 37 279.404 5
Mid Mid (pH 6-8) 1.56 4.23 -33.74 2 4 1 37 279.404 5
Mid Mid (pH 6-8) 1.56 2.05 -5.11 1 4 0 36 278.396 5

Activity (Go SEA)

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