UCSF

ZINC37997596

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 4.01 8.59 -34.14 2 2 1 16 332.331 6
Mid Mid (pH 6-8) 4.01 9.77 -108.94 3 2 2 21 333.339 6

Activity (Go SEA)

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