UCSF

ZINC32824880

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 31 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) 2.03 9.84 -19.39 1 7 0 86 418.497 4
Hi High (pH 8-9.5) 2.49 8.73 -52.95 0 7 -1 89 417.489 4

Activity (Go SEA)

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