UCSF

ZINC36997103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 1.02 7.05 -33.83 2 4 1 34 275.42 2
Mid Mid (pH 6-8) 1.02 5.81 -37.92 2 4 1 38 275.42 2
Lo Low (pH 4.5-6) 1.02 8.07 -111.6 3 4 2 39 276.428 2

Activity (Go SEA)

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