UCSF

ZINC36753874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 0.88 3.11 -56.85 4 5 1 77 296.778 3
Hi High (pH 8-9.5) 0.88 2.79 -19.81 3 5 0 75 295.77 3
Lo Low (pH 4.5-6) 0.88 5.28 -122.12 5 5 2 78 297.786 3

Activity (Go SEA)

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