UCSF

ZINC34964600

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 28 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) 2.94 11.68 -41.8 1 6 1 54 388.532 10
Hi High (pH 8-9.5) 2.94 9.48 -11.71 0 6 0 53 387.524 10

Activity (Go SEA)

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