UCSF

ZINC45147286

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 16 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) 2.84 8.12 -113.84 3 2 2 21 263.212 6
Hi High (pH 8-9.5) 2.84 4.39 -2.17 1 2 0 15 261.196 6
Hi High (pH 8-9.5) 2.84 6.75 -35.67 2 2 1 16 262.204 6
Mid Mid (pH 6-8) 2.84 5.76 -37.73 2 2 1 20 262.204 6

Activity (Go SEA)

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