UCSF

ZINC60121847

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 18 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) 5.05 8.63 -29.83 1 1 1 4 264.458 2
Hi High (pH 8-9.5) 5.05 8.53 -1.18 0 1 0 3 263.45 2

Activity (Go SEA)

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