UCSF

ZINC61820712

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 3.50 9.91 -38.93 1 2 1 22 246.374 3
Mid Mid (pH 6-8) 3.50 7.73 -6.6 0 2 0 20 245.366 3

Activity (Go SEA)

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