UCSF

ZINC04127268

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 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) 4.02 9.98 -15.44 1 5 0 72 382.504 8
Mid Mid (pH 6-8) 4.60 0.13 -35.07 3 5 1 76 383.512 7
Mid Mid (pH 6-8) 4.02 -0.44 -39.74 2 5 1 73 383.512 8

Activity (Go SEA)

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