UCSF

ZINC32101318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) -0.99 0.38 -63.47 3 5 1 78 244.34 6
Lo Low (pH 4.5-6) -0.99 0.81 -98.94 4 5 2 79 245.348 6

Activity (Go SEA)

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