UCSF

ZINC36781241

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) 1.24 3.3 -49.73 1 5 -1 70 282.37 4
Mid Mid (pH 6-8) 0.78 4.67 -17.25 2 5 0 67 283.378 4

Activity (Go SEA)

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