UCSF

ZINC37220461

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.71 8.95 -31.49 2 2 1 16 329.942 6
Hi High (pH 8-9.5) 4.71 7 -2.56 1 2 0 15 328.934 6
Lo Low (pH 4.5-6) 4.71 10.07 -110.38 3 2 2 21 330.95 6

Activity (Go SEA)

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