UCSF

ZINC19898655

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 26 No

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) 1.13 4.3 -11.52 0 7 0 60 382.482 7
Mid Mid (pH 6-8) 1.13 6.65 -45.84 1 7 1 62 383.49 7

Activity (Go SEA)

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