UCSF

ZINC22684084

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 31 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) 4.08 13.45 -54.53 2 6 1 68 439.967 7
Hi High (pH 8-9.5) 4.08 11.27 -19.49 1 6 0 67 438.959 7

Activity (Go SEA)

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