UCSF

ZINC37824522

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -1.42 -3.8 -19.36 4 6 0 96 245.304 2
Mid Mid (pH 6-8) -1.42 -2.79 -46.63 5 6 1 100 246.312 2

Activity (Go SEA)

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