UCSF

ZINC32166474

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 16 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) 1.85 6.72 -10.47 0 3 0 33 218.3 3
Lo Low (pH 4.5-6) 1.85 7.17 -32.97 1 3 1 34 219.308 3

Activity (Go SEA)

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