UCSF

ZINC36749042

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) 0.32 1.25 -5.57 3 5 0 65 198.27 4
Mid Mid (pH 6-8) 0.32 1.37 -24.84 4 5 1 66 199.278 4

Activity (Go SEA)

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