UCSF

ZINC37141074

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 3.07 8.66 -31.53 2 3 1 26 289.443 6
Mid Mid (pH 6-8) 3.07 7.3 -39.11 2 3 1 29 289.443 6
Lo Low (pH 4.5-6) 3.07 9.51 -101.65 3 3 2 30 290.451 6

Activity (Go SEA)

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