UCSF

ZINC39917891

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.73 10.66 -9.28 0 2 0 18 302.78 2
Mid Mid (pH 6-8) 4.73 11.1 -24.21 1 2 1 19 303.788 2

Activity (Go SEA)

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