UCSF

ZINC36105747

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.20 0.9 -17.12 2 8 0 89 351.403 9
Mid Mid (pH 6-8) 0.20 3.18 -53.5 3 8 1 90 352.411 9

Activity (Go SEA)

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