UCSF

ZINC08403419

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 37 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) 5.73 14.96 -11.05 0 5 0 59 484.555 4
Lo Low (pH 4.5-6) 5.73 14.91 -36.28 1 5 1 61 485.563 4
Lo Low (pH 4.5-6) 5.73 12.88 -42.52 1 5 1 61 485.563 4

Activity (Go SEA)

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