UCSF

ZINC21502350

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 4.76 7.77 -4.56 1 3 0 30 263.429 3
Mid Mid (pH 6-8) 4.76 7.87 -28.1 2 3 1 31 264.437 3

Activity (Go SEA)

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