UCSF

ZINC37827655

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.80 9.16 -45.74 0 4 -1 60 308.423 5
Lo Low (pH 4.5-6) 2.80 7.42 -7.85 1 4 0 58 309.431 5

Activity (Go SEA)

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