UCSF

ZINC27564226

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 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) 0.51 0.13 -78.25 4 6 0 117 198.178 3
Mid Mid (pH 6-8) 0.51 -0.82 -55.52 5 6 1 114 199.186 3

Activity (Go SEA)

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