UCSF

ZINC34578663

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.28 2.87 -107.81 6 3 2 56 223.364 9
Hi High (pH 8-9.5) 0.28 2.49 -39.22 5 3 1 55 222.356 9
Mid Mid (pH 6-8) 0.28 2.88 -92.47 6 3 2 56 223.364 9
Mid Mid (pH 6-8) 0.28 4.23 -191.5 7 3 3 61 224.372 9

Activity (Go SEA)

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