UCSF

ZINC37859560

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 16 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) 2.16 2.55 -5.67 2 2 0 32 253.651 5
Mid Mid (pH 6-8) 2.16 3.97 -49.93 3 2 1 37 254.659 5

Activity (Go SEA)

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