UCSF

ZINC37824007

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.52 6.95 -43.87 2 4 1 50 262.377 5
Hi High (pH 8-9.5) 1.52 5.78 -8.81 1 4 0 45 261.369 5
Lo Low (pH 4.5-6) 1.52 7.41 -89.95 3 4 2 51 263.385 5

Activity (Go SEA)

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