UCSF

ZINC06738173

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 25 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) 4.05 8.75 -20.79 1 4 0 67 355.459 4
Hi High (pH 8-9.5) 5.35 7.49 -46.43 0 4 -1 70 354.451 4

Activity (Go SEA)

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