UCSF

ZINC36838724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) -0.33 4.04 -35.64 2 7 0 109 276.296 7
Hi High (pH 8-9.5) -0.33 3.03 -48.67 1 7 -1 104 275.288 7
Lo Low (pH 4.5-6) -0.33 4.55 -69.55 3 7 1 110 277.304 7

Activity (Go SEA)

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