UCSF

ZINC22253397

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 24 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) 1.53 4.93 -47.68 2 7 1 87 334.444 6
Hi High (pH 8-9.5) 1.53 2.82 -19.58 1 7 0 85 333.436 6

Activity (Go SEA)

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