UCSF

ZINC06738171

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 24 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) 3.58 7.99 -20.92 1 4 0 67 341.432 3
Hi High (pH 8-9.5) 4.88 6.73 -46.47 0 4 -1 70 340.424 3

Activity (Go SEA)

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