UCSF

ZINC37028641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.71 1.07 -53.79 4 6 1 94 300.404 6
Hi High (pH 8-9.5) 0.71 0.79 -11.81 3 6 0 93 299.396 6

Activity (Go SEA)

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