UCSF

ZINC01117944

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 36 No

Download: MOL2 SDF SMILES Flexibase

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) 4.85 13.81 -51.53 0 6 -1 83 482.487 8
Mid Mid (pH 6-8) 5.30 11.99 -28.03 1 6 0 80 483.495 7
Mid Mid (pH 6-8) 4.26 12.99 -18.44 0 6 0 77 483.495 8

Activity (Go SEA)

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