UCSF

ZINC34992922

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.69 5.84 -39.72 2 3 1 29 352.243 7
Hi High (pH 8-9.5) 3.69 4.68 -3.83 1 3 0 24 351.235 7
Mid Mid (pH 6-8) 3.69 7.91 -115.73 3 3 2 30 353.251 7
Mid Mid (pH 6-8) 3.69 6.61 -33.42 2 3 1 26 352.243 7

Activity (Go SEA)

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