UCSF

ZINC37825921

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -0.80 1.53 -47.33 2 6 1 66 230.288 5
Hi High (pH 8-9.5) -0.80 0.09 -12.46 1 6 0 62 229.28 5
Lo Low (pH 4.5-6) -0.80 3.66 -103.19 3 6 2 68 231.296 5

Activity (Go SEA)

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