UCSF

ZINC48998218

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 30 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) -0.04 1.28 -160.76 3 12 -2 186 454.357 6
Mid Mid (pH 6-8) -0.04 0.13 -66.15 4 12 -1 183 455.365 6

Activity (Go SEA)

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