UCSF

ZINC41721459

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 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) 1.84 9.59 -39.75 3 2 1 33 269.412 4
Hi High (pH 8-9.5) 1.84 9.27 -5.53 2 2 0 31 268.404 4

Activity (Go SEA)

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