UCSF

ZINC37517089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 17 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) 1.52 4.82 -52.25 1 5 -1 78 234.231 4
Lo Low (pH 4.5-6) 1.52 3.24 -14.94 2 5 0 76 235.239 4

Activity (Go SEA)

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