UCSF

ZINC36996977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.09 3.74 -36.08 3 4 1 46 275.372 2
Hi High (pH 8-9.5) 2.09 1.5 -6.27 2 4 0 45 274.364 2
Lo Low (pH 4.5-6) 2.09 4.89 -116.63 4 4 2 51 276.38 2

Activity (Go SEA)

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