UCSF

ZINC21519161

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 21 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) 4.55 8.4 -5.05 1 3 0 30 287.451 3
Mid Mid (pH 6-8) 4.55 8.5 -28.07 2 3 1 31 288.459 3

Activity (Go SEA)

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