UCSF

ZINC06803242

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 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) 2.18 8.34 -39.64 2 5 0 75 284.315 5
Hi High (pH 8-9.5) 2.18 6.96 -50.38 1 5 -1 70 283.307 5

Activity (Go SEA)

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