UCSF

ZINC01324664

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 25 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) 3.08 4.96 -15.28 2 6 0 88 379.507 5
Hi High (pH 8-9.5) 3.15 4.05 -44.11 1 6 -1 94 378.499 5

Activity (Go SEA)

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