UCSF

ZINC14227642

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 32 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) 2.69 5.56 -21.14 3 9 0 134 457.508 8
Hi High (pH 8-9.5) 3.15 3.51 -63.21 2 9 -1 138 456.5 8

Activity (Go SEA)

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