UCSF

ZINC20314188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 16 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) -0.18 1.35 -40.39 3 5 1 55 232.348 9
Mid Mid (pH 6-8) -0.18 2.6 -100.21 4 5 2 59 233.356 9
Mid Mid (pH 6-8) -0.18 0.07 -39.4 3 5 1 58 232.348 9

Activity (Go SEA)

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