UCSF

ZINC20128501

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 1.11 5.19 -38.2 2 4 1 29 290.431 5
Mid Mid (pH 6-8) 1.11 6.57 -117.4 3 4 2 34 291.439 5
Mid Mid (pH 6-8) 1.11 4.23 -45.4 2 4 1 32 290.431 5

Activity (Go SEA)

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