UCSF

ZINC32190102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 25 No

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) 1.68 8.15 -21.22 1 8 0 108 344.371 4
Hi High (pH 8-9.5) 1.87 6.15 -61.16 0 8 -1 114 343.363 4

Activity (Go SEA)

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