UCSF

ZINC20306130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 19 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) 5.18 7.95 -37.21 3 2 1 29 269.497 7
Hi High (pH 8-9.5) 5.17 7.89 -30.95 3 2 1 29 269.497 7
Mid Mid (pH 6-8) 5.18 8.98 -100.07 4 2 2 33 270.505 7

Activity (Go SEA)

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