UCSF

ZINC37027047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.70 -0.43 -49.87 5 6 1 103 306.795 5
Hi High (pH 8-9.5) 0.70 -0.61 -44.97 3 6 -1 103 304.779 5
Mid Mid (pH 6-8) 0.70 -0.28 -64.35 4 6 0 105 305.787 5

Activity (Go SEA)

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