UCSF

ZINC34823106

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 19 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) 2.23 7.63 -36.04 2 4 1 38 265.425 4
Hi High (pH 8-9.5) 2.23 6.37 -3.68 1 4 0 33 264.417 4

Activity (Go SEA)

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