UCSF

ZINC37112741

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 3.67 5.11 -39.26 3 2 1 31 229.432 9
Mid Mid (pH 6-8) 3.66 6.14 -24.07 3 2 1 30 229.432 9
Mid Mid (pH 6-8) 3.67 6.96 -108.52 4 2 2 32 230.44 9

Activity (Go SEA)

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