UCSF

ZINC37240716

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 3.81 6.96 -31.73 2 2 1 16 239.427 3
Mid Mid (pH 6-8) 3.81 6 -34.56 2 2 1 20 239.427 3
Mid Mid (pH 6-8) 3.81 8.14 -102.32 3 2 2 21 240.435 3

Activity (Go SEA)

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