UCSF

ZINC37797619

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 1.29 4.99 -36.62 2 3 1 29 240.396 5
Mid Mid (pH 6-8) 1.29 6.35 -107.16 3 3 2 34 241.404 5

Activity (Go SEA)

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