UCSF

ZINC01290430

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 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) 6.05 8.62 -48.31 0 5 -1 75 421.523 6
Mid Mid (pH 6-8) 5.60 9.85 -17.56 1 5 0 72 422.531 6

Activity (Go SEA)

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