UCSF

ZINC21814180

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.15 3.91 -75.89 1 6 0 82 302.327 3
Mid Mid (pH 6-8) 1.15 1.54 -48.71 0 6 -1 81 301.319 3

Activity (Go SEA)

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