UCSF

ZINC17135537

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 33 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) 4.72 13.96 -11.67 2 7 0 85 436.519 4
Lo Low (pH 4.5-6) 4.72 14.25 -42.21 3 7 1 86 437.527 4

Activity (Go SEA)

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