UCSF

ZINC05905606

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 28 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) 2.68 -0.22 -14.17 1 6 0 79 381.428 5
Mid Mid (pH 6-8) 2.10 -0.4 -20.66 0 6 0 76 381.428 5

Activity (Go SEA)

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