UCSF

ZINC36255460

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 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) 2.82 8.29 -14.42 1 5 0 53 387.499 6
Lo Low (pH 4.5-6) 2.82 10.32 -47.39 2 5 1 54 388.507 6

Activity (Go SEA)

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