UCSF

ZINC38609910

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 37 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) 4.20 9.31 -15.96 2 8 0 101 498.583 9
Mid Mid (pH 6-8) 4.20 10.07 -55.62 1 8 -1 103 497.575 9

Activity (Go SEA)

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