UCSF

ZINC38421661

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 25 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) 5.17 12.2 -4.91 0 2 0 8 334.438 2
Mid Mid (pH 6-8) 5.17 14.6 -45.5 1 2 1 9 335.446 2

Activity (Go SEA)

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