UCSF

ZINC34321667

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 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) 3.52 8.47 -48.9 1 4 -1 69 268.377 9
Lo Low (pH 4.5-6) 3.52 6.49 -11.2 2 4 0 66 269.385 9

Activity (Go SEA)

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