UCSF

ZINC37003232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.47 4.85 -53.97 4 6 1 87 260.321 4
Hi High (pH 8-9.5) 0.47 4.52 -22.52 3 6 0 86 259.313 4

Activity (Go SEA)

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