UCSF

ZINC43251729

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 2.21 3.22 -39.99 3 3 1 40 275.825 4
Hi High (pH 8-9.5) 2.21 2.82 -2.12 2 3 0 38 274.817 4
Lo Low (pH 4.5-6) 2.21 5.24 -118.32 4 3 2 41 276.833 4

Activity (Go SEA)

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