UCSF

ZINC36132879

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 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) 2.40 5.87 -10.7 0 5 0 42 346.452 4
Mid Mid (pH 6-8) 2.40 7.87 -50.35 1 5 1 43 347.46 4

Activity (Go SEA)

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