UCSF

ZINC37508843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 1.74 5.76 -42.4 4 3 1 57 263.405 6
Hi High (pH 8-9.5) 1.74 5.44 -5.17 3 3 0 55 262.397 6

Activity (Go SEA)

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