UCSF

ZINC36079502

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 20 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) 3.30 8.11 -44.26 2 3 1 34 309.842 5
Mid Mid (pH 6-8) 3.30 5.65 -9.42 1 3 0 32 308.834 5

Activity (Go SEA)

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