UCSF

ZINC69871009

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 21 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) 1.48 4.34 -31.49 2 4 1 37 297.394 6
Mid Mid (pH 6-8) 1.48 4.44 -34.01 2 4 1 37 297.394 6
Mid Mid (pH 6-8) 1.48 2.16 -6.69 1 4 0 36 296.386 6

Activity (Go SEA)

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