UCSF

ZINC38002433

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 1.85 5.81 -50.79 4 3 1 56 315.26 5
Hi High (pH 8-9.5) 1.85 5.57 -6.07 3 3 0 55 314.252 5
Lo Low (pH 4.5-6) 1.85 6.19 -124.07 5 3 2 58 316.268 5

Activity (Go SEA)

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