UCSF

ZINC36683279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 Yes

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) -1.36 -1.41 -12.62 3 6 0 91 223.28 6
Mid Mid (pH 6-8) -1.36 1.01 -54.65 4 6 1 92 224.288 6

Activity (Go SEA)

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