UCSF

ZINC36745007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 0.24 -0.42 -17.12 3 7 0 118 259.287 6
Mid Mid (pH 6-8) 0.24 0.94 -73.03 4 7 1 123 260.295 6

Activity (Go SEA)

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