UCSF

ZINC37859711

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 13 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) 0.18 2.92 -98.83 4 3 2 41 186.299 6
Mid Mid (pH 6-8) 0.18 3.45 -40 3 3 1 44 185.291 6

Activity (Go SEA)

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