UCSF

ZINC33377509

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 29 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) 3.78 12.09 -56.75 0 6 -1 81 436.575 12
Lo Low (pH 4.5-6) 3.78 10.98 -16.89 1 6 0 78 437.583 12

Activity (Go SEA)

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