UCSF

ZINC37112726

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) 3.09 5.52 -39.9 3 2 1 31 229.432 8
Mid Mid (pH 6-8) 3.09 6.58 -24.87 3 2 1 30 229.432 8
Mid Mid (pH 6-8) 3.09 6.91 -110.03 4 2 2 32 230.44 8

Activity (Go SEA)

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