UCSF

ZINC43394070

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.20 6.53 -122.72 4 3 2 41 264.413 4
Hi High (pH 8-9.5) 1.20 6.82 -30.82 3 3 1 40 263.405 4
Mid Mid (pH 6-8) 1.20 4.66 -45.63 3 3 1 40 263.405 4

Activity (Go SEA)

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