UCSF

ZINC08739281

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 29 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) 0.98 -4.34 -56.43 4 8 1 103 398.487 5
Mid Mid (pH 6-8) 0.98 -4.13 -117.14 5 8 2 105 399.495 5

Activity (Go SEA)

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