UCSF

ZINC71148758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 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) 0.97 3.78 -79.95 3 4 2 28 270.465 6
Hi High (pH 8-9.5) 0.97 2.41 -33.59 2 4 1 23 269.457 6
Lo Low (pH 4.5-6) 0.97 6.25 -167.47 4 4 3 29 271.473 6

Activity (Go SEA)

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