UCSF

ZINC36863966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 0.73 3.42 -56.35 1 7 -1 104 294.312 5
Mid Mid (pH 6-8) 0.73 3.93 -82.97 1 7 -1 107 294.312 5
Mid Mid (pH 6-8) 0.73 3.44 -106.07 0 7 -2 106 293.304 5

Activity (Go SEA)

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