UCSF

ZINC37080284

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.07 7.55 -43.52 0 4 -1 56 239.682 4
Lo Low (pH 4.5-6) 2.07 7.99 -31.11 1 4 0 58 240.69 4

Activity (Go SEA)

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