UCSF

ZINC36743057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 1.85 2.84 -47.08 2 5 -1 87 296.397 5
Mid Mid (pH 6-8) 2.78 3.08 -13.81 3 5 0 88 297.405 4

Activity (Go SEA)

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