UCSF

ZINC32251827

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 13 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) 1.41 6.03 -101.62 3 2 2 21 182.311 0
Hi High (pH 8-9.5) 1.41 5.53 -31.14 2 2 1 20 181.303 0

Activity (Go SEA)

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