UCSF

ZINC32883681

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 3.62 5.32 -19.13 4 5 0 84 345.83 5
Mid Mid (pH 6-8) 3.32 1.74 -35.07 5 5 1 93 346.838 5
Lo Low (pH 4.5-6) 3.45 2.42 -96.25 6 5 2 92 347.846 6

Activity (Go SEA)

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