UCSF

ZINC31961180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.22 2.73 -54.84 5 5 1 82 263.365 5
Mid Mid (pH 6-8) 1.22 3.17 -96.82 6 5 2 83 264.373 5

Activity (Go SEA)

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