UCSF

ZINC32103104

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 2.45 4.43 -5.42 1 2 0 23 247.363 5
Mid Mid (pH 6-8) 2.45 6.94 -36.82 2 2 1 25 248.371 5

Activity (Go SEA)

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