UCSF

ZINC37822224

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) 1.78 5 -44.43 3 4 1 61 264.393 6
Hi High (pH 8-9.5) 1.78 4.76 -7.53 2 4 0 59 263.385 6
Lo Low (pH 4.5-6) 1.78 5.47 -93.3 4 4 2 62 265.401 6

Activity (Go SEA)

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