UCSF

ZINC24897795

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 23 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) 3.24 10.19 -49.32 2 3 1 34 315.412 7
Hi High (pH 8-9.5) 3.24 7.78 -9.2 1 3 0 32 314.404 7

Activity (Go SEA)

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