UCSF

ZINC09113245

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 25 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) 2.98 9.79 -10.08 1 6 0 75 356.451 4
Hi High (pH 8-9.5) 2.98 9.59 -51.57 0 6 -1 73 355.443 4

Activity (Go SEA)

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