UCSF

ZINC21529623

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 23 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) 1.95 4.84 -47.44 1 7 1 65 319.385 5
Mid Mid (pH 6-8) 1.95 2.45 -8.17 0 7 0 64 318.377 5

Activity (Go SEA)

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