UCSF

ZINC42643128

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2010 22 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) 0.90 6.45 -35.37 1 5 1 41 305.446 6
Mid Mid (pH 6-8) 0.90 4.89 -36.51 1 5 1 41 305.446 6
Mid Mid (pH 6-8) 0.90 6.54 -37.27 1 5 1 41 305.446 6
Mid Mid (pH 6-8) 0.90 4.17 -10.21 0 5 0 40 304.438 6
Lo Low (pH 4.5-6) 0.90 7.17 -86.77 2 5 2 42 306.454 6

Activity (Go SEA)

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