UCSF

ZINC37801409

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.08 5.09 -38.51 3 4 1 57 283.417 6
Mid Mid (pH 6-8) 1.08 4.41 -10.59 2 4 0 56 282.409 6

Activity (Go SEA)

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