UCSF

ZINC01290993

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 5.38 11.08 -16.94 1 5 0 66 439.606 4
Mid Mid (pH 6-8) 5.84 9.84 -48.69 0 5 -1 69 438.598 4

Activity (Go SEA)

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