UCSF

ZINC42188025

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 19 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) 1.45 2.12 -45.69 5 4 1 77 263.361 4
Mid Mid (pH 6-8) 1.45 1.79 -8.86 4 4 0 75 262.353 4

Activity (Go SEA)

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