UCSF

ZINC02791799

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 32 No

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) 5.40 14.77 -14.95 1 5 0 59 444.556 6
Mid Mid (pH 6-8) 5.40 14.34 -50.5 0 5 -1 57 443.548 6

Activity (Go SEA)

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