UCSF

ZINC00991957

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 24 Yes

Other Names:

MFCD03185982

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) 4.18 7.72 -11.18 1 4 0 59 403.301 5
Mid Mid (pH 6-8) 4.18 7.76 -44.05 0 4 -1 61 402.293 5
Lo Low (pH 4.5-6) 4.18 8.18 -40.9 2 4 1 60 404.309 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.