UCSF

ZINC36754616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 Yes

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) 0.59 1.46 -42.03 3 4 1 43 256.414 4
Mid Mid (pH 6-8) 0.59 3.69 -103.71 4 4 2 45 257.422 4
Lo Low (pH 4.5-6) 0.59 3.48 -85.63 4 4 2 45 257.422 4
Lo Low (pH 4.5-6) 0.59 5.7 -179.36 5 4 3 46 258.43 4

Activity (Go SEA)

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