UCSF

ZINC37794622

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.97 7.21 -43.9 1 4 -1 69 306.647 4
Lo Low (pH 4.5-6) 2.97 5.21 -7.57 2 4 0 66 307.655 4

Activity (Go SEA)

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