UCSF

ZINC01683229

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 22 Yes

Other Names:

LS-193773

MFCD03938929

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) 3.18 11.26 -53.19 1 3 1 39 296.39 8
Mid Mid (pH 6-8) 3.18 8.95 -13.2 0 3 0 37 295.382 8

Activity (Go SEA)

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