UCSF

ZINC37824780

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.38 2.59 -43.79 3 5 1 70 252.338 7
Hi High (pH 8-9.5) -0.38 2.24 -13.12 2 5 0 68 251.33 7
Lo Low (pH 4.5-6) -0.38 3.08 -88.19 4 5 2 71 253.346 7

Activity (Go SEA)

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