UCSF

ZINC36887257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 1.56 1.9 -12.14 3 4 0 51 283.372 5
Mid Mid (pH 6-8) 1.56 4.16 -52.44 4 4 1 52 284.38 5

Activity (Go SEA)

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