UCSF

ZINC21578320

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 24 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) 2.24 6.29 -47.93 1 7 0 93 333.388 5
Mid Mid (pH 6-8) 1.78 7.36 -59.48 2 7 1 90 334.396 5

Activity (Go SEA)

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