UCSF

ZINC36850897

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 12 No

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) -0.75 2.33 -49.99 2 4 1 54 169.204 2
Hi High (pH 8-9.5) -0.75 0.95 -8.64 1 4 0 49 168.196 2
Mid Mid (pH 6-8) -0.75 0.96 -6.64 1 4 0 49 168.196 2

Activity (Go SEA)

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