UCSF

ZINC37414034

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 19 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) -1.27 2.31 -43.07 2 7 -1 115 260.229 3
Mid Mid (pH 6-8) -0.81 0.52 -99.44 1 7 -2 118 259.221 3

Activity (Go SEA)

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