UCSF

ZINC20360251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 19 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) 1.82 5.53 -42.59 2 5 1 50 263.365 4
Mid Mid (pH 6-8) 1.82 3.06 -10.83 1 5 0 48 262.357 4
Mid Mid (pH 6-8) 1.82 3.36 -37.27 2 5 1 50 263.365 4

Activity (Go SEA)

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