UCSF

ZINC37228649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 1.75 7.8 -75.41 3 4 2 35 260.385 5
Hi High (pH 8-9.5) 1.75 4.9 -8.76 1 4 0 33 258.369 5
Mid Mid (pH 6-8) 1.75 7.35 -42.58 2 4 1 34 259.377 5
Lo Low (pH 4.5-6) 1.75 8.71 -129.14 3 4 2 38 260.385 5

Activity (Go SEA)

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