UCSF

ZINC22777500

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 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) 3.85 8.71 -51.64 2 4 1 44 381.29 7
Mid Mid (pH 6-8) 3.85 7.56 -8.6 1 4 0 40 380.282 7

Activity (Go SEA)

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