UCSF

ZINC44510304

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 13 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) -0.38 0.52 -41.63 3 3 1 40 185.291 3
Mid Mid (pH 6-8) -0.38 2.7 -31.16 3 3 1 40 185.291 3
Mid Mid (pH 6-8) -0.38 0.24 -3.47 2 3 0 38 184.283 3

Activity (Go SEA)

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