UCSF

ZINC32932197

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 25 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) 3.62 6.22 -13.23 1 5 0 59 378.778 6
Lo Low (pH 4.5-6) 3.62 8.57 -51.79 2 5 1 60 379.786 6

Activity (Go SEA)

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