UCSF

ZINC36875090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 0.07 2.85 -46.8 3 5 1 59 295.403 5
Hi High (pH 8-9.5) 0.07 2.11 -5.61 2 5 0 57 294.395 5
Lo Low (pH 4.5-6) 0.07 4.46 -130.27 4 5 2 60 296.411 5

Activity (Go SEA)

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