UCSF

ZINC37136798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 3.63 5.25 -10.58 1 4 0 51 281.359 4
Lo Low (pH 4.5-6) 3.63 5.42 -40.88 2 4 1 52 282.367 4

Activity (Go SEA)

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