UCSF

ZINC22775237

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) 3.49 6.28 -42.53 3 5 1 57 419.343 5
Hi High (pH 8-9.5) 3.49 4.15 -11.76 2 5 0 56 418.335 5

Activity (Go SEA)

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