UCSF

ZINC06133558

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 15 No

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) 0.38 1.98 -29.76 6 6 1 109 204.213 2
Hi High (pH 8-9.5) 0.84 0.19 -39.92 5 6 0 112 203.205 2
Mid Mid (pH 6-8) 0.25 1.83 -16.04 5 6 0 110 203.205 1

Activity (Go SEA)

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