UCSF

ZINC13284521

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 26 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) 3.53 6.12 -11.31 3 5 0 81 364.405 3
Lo Low (pH 4.5-6) 3.53 6.34 -39.93 4 5 1 82 365.413 3

Activity (Go SEA)

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