UCSF

ZINC22702941

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 30 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) 1.10 1.3 -17.2 2 9 0 102 417.462 9
Lo Low (pH 4.5-6) 1.10 3.5 -59.32 3 9 1 103 418.47 9

Activity (Go SEA)

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