UCSF

ZINC21507296

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 18 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) 4.36 9.68 -110.46 3 2 2 21 256.478 7
Mid Mid (pH 6-8) 4.36 7.54 -32.78 2 2 1 20 255.47 7

Activity (Go SEA)

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