UCSF

ZINC21729510

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 3.22 4.93 -67.94 2 7 1 80 424.93 7
Mid Mid (pH 6-8) 3.22 5.79 -27.08 1 7 0 79 423.922 7

Activity (Go SEA)

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