UCSF

ZINC36746349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) -1.71 -1.12 -58.79 4 6 1 99 199.234 6
Mid Mid (pH 6-8) -1.71 -2.48 -16.87 3 6 0 94 198.226 6

Activity (Go SEA)

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