UCSF

ZINC36731917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) -0.01 0.09 -43.48 4 5 1 69 260.402 11
Mid Mid (pH 6-8) -0.01 1.78 -34.6 4 5 1 69 260.402 11

Activity (Go SEA)

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