UCSF

ZINC37827797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -1.75 3.16 -51.45 0 7 -1 84 270.309 5
Mid Mid (pH 6-8) -1.75 5.27 -71.04 1 7 0 85 271.317 5
Lo Low (pH 4.5-6) -1.75 3.29 -49.01 2 7 1 82 272.325 5

Activity (Go SEA)

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