UCSF

ZINC37087211

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.04 5.72 -35.6 2 4 1 47 291.444 3
Hi High (pH 8-9.5) 1.04 5.18 -9.41 1 4 0 43 290.436 3
Lo Low (pH 4.5-6) 1.04 5.88 -92.72 3 4 2 49 292.452 3

Activity (Go SEA)

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