UCSF

ZINC37095916

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.45 6.59 -45.45 3 2 1 31 263.449 8
Mid Mid (pH 6-8) 3.45 7.91 -27.96 3 2 1 30 263.449 8
Mid Mid (pH 6-8) 3.45 8.34 -121.96 4 2 2 32 264.457 8

Activity (Go SEA)

Rings

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