UCSF

ZINC02614426

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 8.01 13.46 -16.42 1 3 0 46 473.45 4
Mid Mid (pH 6-8) 8.38 12.23 -47.59 0 3 -1 49 472.442 4

Activity (Go SEA)

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