UCSF

ZINC21802121

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 5.00 10.39 -34.72 2 2 1 20 271.513 11
Mid Mid (pH 6-8) 5.00 11.04 -109.69 3 2 2 21 272.521 11

Activity (Go SEA)

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