UCSF

ZINC00736831

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.04 10.87 -16.86 2 6 0 74 442.563 7
Lo Low (pH 4.5-6) 4.04 11.31 -55.97 3 6 1 76 443.571 7

Activity (Go SEA)

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