UCSF

ZINC34559161

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 3.78 5.02 -48.86 0 5 -1 74 327.385 4
Lo Low (pH 4.5-6) 3.78 5.39 -12.65 1 5 0 72 328.393 4

Activity (Go SEA)

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