UCSF

ZINC09049457

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 27 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) 3.71 8 -17.16 2 6 0 89 367.401 6
Hi High (pH 8-9.5) 3.89 5.19 -57.26 1 6 -1 95 366.393 6
Hi High (pH 8-9.5) 3.71 8.98 -58.13 1 6 -1 92 366.393 6

Activity (Go SEA)

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