UCSF

ZINC37233343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 4.37 9.91 -34.27 2 3 1 30 327.901 7
Hi High (pH 8-9.5) 4.37 7.86 -3.26 1 3 0 28 326.893 7
Lo Low (pH 4.5-6) 4.37 10.07 -112.89 3 3 2 34 328.909 7

Activity (Go SEA)

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