UCSF

ZINC36365601

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 25 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) 3.12 8.65 -10.87 1 5 0 74 348.793 2
Ref Reference (pH 7) 2.94 11.3 -11.61 1 5 0 71 348.793 2
Mid Mid (pH 6-8) 2.94 11.76 -52.48 2 5 1 72 349.801 2

Activity (Go SEA)

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