UCSF

ZINC62954285

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 2.25 7.28 -35.15 4 4 1 68 287.431 3
Hi High (pH 8-9.5) 2.25 8.31 -6.4 3 4 0 66 286.423 3
Lo Low (pH 4.5-6) 2.25 7.7 -89.04 5 4 2 69 288.439 3

Activity (Go SEA)

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