UCSF

ZINC08981118

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 27 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) 2.41 -3.3 -18.26 2 8 0 110 392.433 8
Hi High (pH 8-9.5) 2.41 -2.72 -54.63 1 8 -1 112 391.425 8

Activity (Go SEA)

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