UCSF

ZINC35054359

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 20 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) 2.82 5.33 -42.48 3 3 1 40 275.416 4
Hi High (pH 8-9.5) 2.82 6.34 -33.57 3 3 1 37 275.416 4
Lo Low (pH 4.5-6) 2.82 7.54 -109.29 4 3 2 41 276.424 4

Activity (Go SEA)

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