UCSF

ZINC32999833

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 21 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) 1.14 1.92 -39.26 1 7 -1 104 286.267 5
Lo Low (pH 4.5-6) 0.69 2.75 -13.93 2 7 0 101 287.275 5

Activity (Go SEA)

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