UCSF

ZINC38539910

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 17 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) 1.16 2.67 -43.58 3 3 1 40 239.314 3
Mid Mid (pH 6-8) 1.16 4.89 -111.23 4 3 2 41 240.322 3

Activity (Go SEA)

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