UCSF

ZINC37815707

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.14 4.44 -6.63 1 4 0 42 262.353 4
Lo Low (pH 4.5-6) 1.14 5.64 -37.2 2 4 1 46 263.361 4

Activity (Go SEA)

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