UCSF

ZINC41725668

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 1.30 8.79 -45.93 3 3 1 56 280.395 1
Hi High (pH 8-9.5) 1.30 8.48 -6.25 2 3 0 55 279.387 1

Activity (Go SEA)

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