UCSF

ZINC39916899

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 22 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) 4.82 12.16 -35.07 1 3 1 22 300.47 7
Mid Mid (pH 6-8) 4.82 10.57 -22.7 1 3 1 22 300.47 7
Mid Mid (pH 6-8) 4.82 9.75 -8.45 0 3 0 21 299.462 7
Lo Low (pH 4.5-6) 4.82 12.76 -96.55 2 3 2 24 301.478 7

Activity (Go SEA)

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