UCSF

ZINC21638381

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 2.80 11.05 -41.77 1 7 1 57 423.585 4
Mid Mid (pH 6-8) 2.80 8.67 -7.78 0 7 0 56 422.577 4

Activity (Go SEA)

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