UCSF

ZINC01290998

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 33 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) 6.04 11.66 -19.2 2 5 0 75 475.639 7
Mid Mid (pH 6-8) 6.49 10.42 -49.76 1 5 -1 78 474.631 7

Activity (Go SEA)

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