UCSF

ZINC19477396

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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 3.84 -17.76 3 4 0 64 244.323 4
Lo Low (pH 4.5-6) 0.88 4.24 -42.22 4 4 1 65 245.331 4
Lo Low (pH 4.5-6) 0.88 4.2 -49.32 4 4 1 65 245.331 4
Lo Low (pH 4.5-6) 0.88 4.59 -104.97 5 4 2 66 246.339 4

Activity (Go SEA)

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