UCSF

ZINC21711800

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 35 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) 1.02 9.15 -51.04 2 8 1 77 476.601 6
Mid Mid (pH 6-8) 1.02 9.02 -52.12 2 8 1 77 476.601 6
Mid Mid (pH 6-8) 1.02 6.68 -18.84 1 8 0 76 475.593 6

Activity (Go SEA)

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