UCSF

ZINC37834974

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.62 1.93 -56.75 1 7 -1 107 291.349 6
Lo Low (pH 4.5-6) -0.62 -0.04 -18.19 2 7 0 104 292.357 6

Activity (Go SEA)

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