UCSF

ZINC21793567

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 4.29 9.08 -32.06 2 2 1 29 261.433 4
Lo Low (pH 4.5-6) 4.29 9.52 -97.36 3 2 2 31 262.441 4

Activity (Go SEA)

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