UCSF

ZINC23245427

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 27 No

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) 2.65 8.44 -41.18 1 6 1 68 368.457 3
Mid Mid (pH 6-8) 2.65 5.94 -13.12 0 6 0 67 367.449 3

Activity (Go SEA)

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