UCSF

ZINC21524500

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 32 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) 3.72 12.78 -19.16 0 6 0 57 433.552 9
Mid Mid (pH 6-8) 3.72 13.29 -32.86 1 6 1 58 434.56 9

Activity (Go SEA)

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