UCSF

ZINC36667670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 2.72 8.74 -44.77 1 2 1 28 203.309 4
Mid Mid (pH 6-8) 2.72 6.88 -5.49 0 2 0 27 202.301 4

Activity (Go SEA)

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