UCSF

ZINC27346111

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 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) 2.52 3.11 -5.5 1 3 0 33 267.344 5
Mid Mid (pH 6-8) 2.52 5.46 -45.28 2 3 1 34 268.352 5

Activity (Go SEA)

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