UCSF

ZINC23995912

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 28 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) 0.61 9.11 -49.68 1 7 1 61 386.52 4
Hi High (pH 8-9.5) 0.61 6.89 -14.41 0 7 0 60 385.512 4
Lo Low (pH 4.5-6) 0.61 8.21 -41.32 1 7 1 61 386.52 4

Activity (Go SEA)

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