UCSF

ZINC37141647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 3.36 6.24 -41.54 2 2 1 20 279.37 4
Mid Mid (pH 6-8) 3.36 7.45 -34.32 2 2 1 16 279.37 4
Lo Low (pH 4.5-6) 3.36 8.48 -107.98 3 2 2 21 280.378 4

Activity (Go SEA)

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