UCSF

ZINC21629210

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 28 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) 3.08 6.33 -61.53 2 6 1 71 410.466 5
Mid Mid (pH 6-8) 3.08 7.22 -15.28 1 6 0 70 409.458 5

Activity (Go SEA)

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