UCSF

ZINC36749273

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) 0.99 4.5 -4.77 2 4 0 47 194.282 3
Mid Mid (pH 6-8) 0.99 4.62 -23.66 3 4 1 48 195.29 3

Activity (Go SEA)

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