UCSF

ZINC32164906

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 1.72 1.85 -9.76 1 4 0 56 182.175 3
Hi High (pH 8-9.5) 1.72 2.53 -50.45 0 4 -1 59 181.167 3

Activity (Go SEA)

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