UCSF

ZINC32093479

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 28 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) 4.47 5.83 -10.71 2 4 0 62 398.434 3
Ref Reference (pH 7) 4.29 8.43 -11.96 2 4 0 58 398.434 3

Activity (Go SEA)

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