UCSF

ZINC22220205

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) 0.20 0.81 -49.75 3 4 1 53 211.285 3
Lo Low (pH 4.5-6) 0.20 2.88 -132.17 4 4 2 54 212.293 3

Activity (Go SEA)

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