UCSF

ZINC40832023

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 17 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) 0.88 2.77 -42.31 4 5 1 83 245.343 7
Hi High (pH 8-9.5) 0.88 2.47 -5.99 3 5 0 81 244.335 7

Activity (Go SEA)

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