UCSF

ZINC45658391

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.73 7.09 -108.17 4 3 2 35 261.413 3
Hi High (pH 8-9.5) 1.73 6.71 -31.96 3 3 1 34 260.405 3
Mid Mid (pH 6-8) 1.73 4.67 -46.52 3 3 1 34 260.405 3

Activity (Go SEA)

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