UCSF

ZINC36096535

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 1.70 4.88 -35.65 2 4 1 43 288.433 10
Mid Mid (pH 6-8) 1.70 2.02 -5.65 1 4 0 42 287.425 10

Activity (Go SEA)

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