UCSF

ZINC20615802

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 22 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) -0.28 4.72 -51.31 0 7 -1 82 307.374 6
Mid Mid (pH 6-8) -0.28 7.01 -75.93 1 7 0 83 308.382 6
Lo Low (pH 4.5-6) -0.28 5.89 -50.55 2 7 1 80 309.39 6

Activity (Go SEA)

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