UCSF

ZINC19260206

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 1.98 5.35 -39.7 2 3 1 33 223.34 6
Hi High (pH 8-9.5) 1.98 3.93 -3.87 1 3 0 28 222.332 6
Mid Mid (pH 6-8) 1.98 7.89 -113.43 3 3 2 34 224.348 6
Mid Mid (pH 6-8) 1.98 6.46 -36.59 2 3 1 30 223.34 6

Activity (Go SEA)

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