UCSF

ZINC41730632

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 14 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) -0.49 6.3 -29.33 2 3 0 57 195.262 3
Hi High (pH 8-9.5) -0.49 5.47 -44.97 1 3 -1 52 194.254 3

Activity (Go SEA)

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