UCSF

ZINC37803398

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.12 4.61 -46.97 3 4 1 61 248.35 5
Hi High (pH 8-9.5) 0.12 4.11 -9.93 2 4 0 59 247.342 5
Lo Low (pH 4.5-6) 0.12 5.07 -101.79 4 4 2 62 249.358 5

Activity (Go SEA)

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