UCSF

ZINC04251171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 26 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) 3.00 8.94 -14.43 0 6 0 60 368.462 5
Mid Mid (pH 6-8) 3.00 9.38 -36.97 1 6 1 61 369.47 5

Activity (Go SEA)

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