UCSF

ZINC43977624

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 2.57 7.3 -104.02 3 3 2 30 256.434 8
Hi High (pH 8-9.5) 2.57 4.22 -1.22 1 3 0 24 254.418 8
Mid Mid (pH 6-8) 2.57 5.34 -37.05 2 3 1 29 255.426 8
Mid Mid (pH 6-8) 2.57 6.17 -27.1 2 3 1 26 255.426 8

Activity (Go SEA)

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