UCSF

ZINC58343306

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 21 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) 1.57 4.78 -23.72 2 6 0 97 286.287 2
Mid Mid (pH 6-8) 1.57 3.96 -18.24 2 6 0 92 286.287 2
Mid Mid (pH 6-8) 1.57 4.72 -50.3 1 6 -1 95 285.279 2

Activity (Go SEA)

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