UCSF

ZINC40175547

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 19 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) 1.31 8.16 -67.83 0 4 -1 62 270.186 2
Lo Low (pH 4.5-6) 1.31 7.34 -29.78 1 4 0 65 271.194 2

Activity (Go SEA)

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