UCSF

ZINC33739947

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 4.70 6.56 -41.18 1 5 -1 74 373.841 5
Hi High (pH 8-9.5) 4.70 7.48 -101.43 0 5 -2 76 372.833 5

Activity (Go SEA)

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