UCSF

ZINC36874290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 0.92 5.01 -53.57 4 6 1 102 247.278 5
Mid Mid (pH 6-8) 0.92 5.48 -116.09 5 6 2 103 248.286 5

Activity (Go SEA)

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