UCSF

ZINC37255814

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.31 7.48 -31.41 2 2 1 16 239.427 4
Mid Mid (pH 6-8) 3.31 6.46 -35.59 2 2 1 20 239.427 4
Mid Mid (pH 6-8) 3.31 8.66 -103.12 3 2 2 21 240.435 4

Activity (Go SEA)

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