UCSF

ZINC32423488

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 5.00 12.84 -14.97 1 5 0 66 417.553 5
Hi High (pH 8-9.5) 5.46 11.72 -49.54 0 5 -1 69 416.545 5

Activity (Go SEA)

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