UCSF

ZINC26516010

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 13 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) 2.10 4.45 -26.95 4 3 1 52 180.275 4
Mid Mid (pH 6-8) 2.10 4.11 -6.71 3 3 0 51 179.267 4

Activity (Go SEA)

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