UCSF

ZINC19331063

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 24 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) 2.88 6.06 -40.14 2 4 1 40 334.528 2
Mid Mid (pH 6-8) 2.88 8.25 -113.61 3 4 2 41 335.536 2
Mid Mid (pH 6-8) 2.88 5.94 -33.93 2 4 1 37 334.528 2

Activity (Go SEA)

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