UCSF

ZINC00196872

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 3.21 12.21 -12.77 0 4 0 43 292.317 2
Mid Mid (pH 6-8) 3.22 13.22 -46.56 2 4 1 47 293.325 2
Lo Low (pH 4.5-6) 3.21 12.53 -33.07 1 4 1 45 293.325 2

Activity (Go SEA)

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