UCSF

ZINC01107520

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 19 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) 5.76 7.99 -5.35 1 2 0 33 403.501 2
Mid Mid (pH 6-8) 5.76 7.38 -31.23 0 2 -1 35 402.493 2
Mid Mid (pH 6-8) 5.76 8.76 -36.86 0 2 -1 35 402.493 2

Activity (Go SEA)

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