UCSF

ZINC36357998

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 22 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) 3.25 7.29 -10.06 1 4 0 50 374.263 2
Ref Reference (pH 7) 3.07 9.96 -10.58 1 4 0 47 374.263 2
Lo Low (pH 4.5-6) 3.07 10.42 -41.49 2 4 1 48 375.271 2

Activity (Go SEA)

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