UCSF

ZINC40379526

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 26 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) 5.00 13.27 -49.19 2 3 1 37 412.351 5
Hi High (pH 8-9.5) 5.00 11.08 -15.08 1 3 0 36 411.343 5

Activity (Go SEA)

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