UCSF

ZINC19990209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.82 10.69 -53.18 1 6 1 68 359.446 6
Mid Mid (pH 6-8) 2.82 8.43 -11.52 0 6 0 67 358.438 6

Activity (Go SEA)

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