UCSF

ZINC35016998

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 1.70 4.45 -11.18 3 5 0 71 312.416 6
Mid Mid (pH 6-8) 0.95 3.35 -35.57 2 5 -1 77 311.408 5

Activity (Go SEA)

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