UCSF

ZINC61379714

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 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) 1.89 4.92 -40.6 2 4 1 39 289.197 7
Mid Mid (pH 6-8) 1.89 2.51 -4.62 1 4 0 37 288.189 7

Activity (Go SEA)

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