UCSF

ZINC36103349

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) 1.75 4.66 -8.86 0 4 0 33 254.374 4
Mid Mid (pH 6-8) 1.75 6.65 -45.02 1 4 1 34 255.382 4

Activity (Go SEA)

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