UCSF

ZINC23282880

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 20 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) 3.14 11.03 -42.13 1 3 1 31 274.384 4
Hi High (pH 8-9.5) 3.14 8.85 -5.39 0 3 0 30 273.376 4

Activity (Go SEA)

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