UCSF

ZINC22162550

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 1.96 4.98 -63.26 4 4 1 66 257.313 5
Hi High (pH 8-9.5) 1.96 4.59 -15.49 3 4 0 64 256.305 5

Activity (Go SEA)

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