UCSF

ZINC34670592

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.81 4.28 -11.44 1 5 0 51 329.396 6
Lo Low (pH 4.5-6) 2.81 6.59 -43.03 2 5 1 52 330.404 6

Activity (Go SEA)

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