UCSF

ZINC22119593

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 1.56 6.11 -58.83 1 7 -1 112 312.305 5
Lo Low (pH 4.5-6) 1.56 4.13 -20.6 2 7 0 109 313.313 5

Activity (Go SEA)

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