UCSF

ZINC22236654

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 27 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) 2.00 7.18 -12.26 0 6 0 55 367.449 4
Lo Low (pH 4.5-6) 2.00 7.44 -46.08 1 6 1 56 368.457 4

Activity (Go SEA)

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