UCSF

ZINC37213908

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.38 8.5 -32.58 2 3 1 29 289.443 4
Mid Mid (pH 6-8) 2.38 9.39 -26.53 2 3 1 26 289.443 4
Lo Low (pH 4.5-6) 2.38 10.3 -101.36 3 3 2 30 290.451 4

Activity (Go SEA)

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