UCSF

ZINC37271654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) -0.94 2.35 -49.38 3 5 1 68 230.332 5
Hi High (pH 8-9.5) -0.94 2.03 -13.28 2 5 0 67 229.324 5

Activity (Go SEA)

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