UCSF

ZINC13726741

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 18 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) 0.70 2.41 -11.55 5 6 0 107 246.27 3
Mid Mid (pH 6-8) 0.70 2.71 -36.51 6 6 1 109 247.278 3
Mid Mid (pH 6-8) 0.70 -0.98 -36.06 6 6 1 109 247.278 3

Activity (Go SEA)

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