UCSF

ZINC13582157

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 26 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) 2.34 4.31 -15.69 3 7 0 112 373.434 6
Hi High (pH 8-9.5) 2.34 4.38 -41.56 2 7 -1 114 372.426 6

Activity (Go SEA)

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