UCSF

ZINC37220457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.91 8.32 -30.31 2 2 1 16 295.497 6
Hi High (pH 8-9.5) 3.91 6.37 -2.75 1 2 0 15 294.489 6
Lo Low (pH 4.5-6) 3.91 9.29 -100.73 3 2 2 21 296.505 6

Activity (Go SEA)

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