UCSF

ZINC37266333

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 1.69 8.11 -46.14 1 4 1 47 275.372 6
Hi High (pH 8-9.5) 1.69 5.9 -7.27 0 4 0 45 274.364 6

Activity (Go SEA)

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