UCSF

ZINC21870605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 32 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) 3.90 7.04 -15.92 2 7 0 94 462.474 8
Mid Mid (pH 6-8) 3.90 7.1 -41.7 1 7 -1 96 461.466 8

Activity (Go SEA)

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