UCSF

ZINC41681636

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 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) 1.24 4.36 -93.19 4 3 2 35 217.401 8
Hi High (pH 8-9.5) 1.24 1.89 -37.2 3 3 1 34 216.393 8

Activity (Go SEA)

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