UCSF

ZINC37109778

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.96 4.46 -109.27 4 5 2 60 298.427 8
Mid Mid (pH 6-8) 1.96 2.78 -40.58 3 5 1 59 297.419 8
Mid Mid (pH 6-8) 1.96 4.26 -24.52 3 5 1 58 297.419 8

Activity (Go SEA)

Rings

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