UCSF

ZINC36779875

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.70 4.34 -55.19 1 6 -1 73 262.318 4
Mid Mid (pH 6-8) -0.03 4.22 -17.85 2 6 0 76 263.326 4

Activity (Go SEA)

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