UCSF

ZINC36989972

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 5.37 8.6 -5.32 1 2 0 25 256.393 6
Lo Low (pH 4.5-6) 5.37 9.05 -26.67 2 2 1 26 257.401 6

Activity (Go SEA)

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