UCSF

ZINC36997031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 1.29 5.16 -34.44 3 4 1 45 249.382 3
Mid Mid (pH 6-8) 1.29 4.19 -41.55 3 4 1 49 249.382 3
Lo Low (pH 4.5-6) 1.29 6.43 -113.81 4 4 2 50 250.39 3

Activity (Go SEA)

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