UCSF

ZINC11858222

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2008 29 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) 2.96 -5.14 -20.43 1 7 0 101 448.444 5
Hi High (pH 8-9.5) 2.96 -4.65 -54.74 0 7 -1 103 447.436 5

Activity (Go SEA)

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