UCSF

ZINC19919253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 3.20 5.67 -38.27 2 3 1 29 291.337 9
Hi High (pH 8-9.5) 3.20 4.22 -3.4 1 3 0 24 290.329 9
Mid Mid (pH 6-8) 3.20 6.24 -35.05 2 3 1 26 291.337 9

Activity (Go SEA)

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