UCSF

ZINC06623282

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 26 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) 1.48 1.99 -15.48 2 8 0 103 378.406 6
Hi High (pH 8-9.5) 1.48 2.03 -44.62 1 8 -1 105 377.398 6

Activity (Go SEA)

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