UCSF

ZINC34679130

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 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) 3.59 11.25 -11.56 1 7 0 65 370.501 4
Lo Low (pH 4.5-6) 3.59 11.64 -29.14 2 7 1 66 371.509 4
Lo Low (pH 4.5-6) 3.59 11.61 -31.15 2 7 1 66 371.509 4

Activity (Go SEA)

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