UCSF

ZINC34824079

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) -0.28 3.54 -41.86 3 5 1 58 253.37 4
Hi High (pH 8-9.5) -0.28 2.15 -5.77 2 5 0 53 252.362 4

Activity (Go SEA)

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