UCSF

ZINC70709852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2011 24 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) 2.44 5.97 -43.12 4 6 1 75 335.472 9
Hi High (pH 8-9.5) 2.44 3.76 -8.73 3 6 0 73 334.464 9

Activity (Go SEA)

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