UCSF

ZINC13582069

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 22 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) 0.48 1.41 -15.98 3 7 0 112 317.326 3
Mid Mid (pH 6-8) 0.48 1.45 -43.96 2 7 -1 114 316.318 3
Mid Mid (pH 6-8) 1.34 1.74 -53.31 2 7 1 111 316.318 3

Activity (Go SEA)

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