UCSF

ZINC37510417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 3.23 9.23 -46.92 2 3 1 34 258.389 3
Hi High (pH 8-9.5) 3.23 8.06 -8.11 1 3 0 29 257.381 3
Lo Low (pH 4.5-6) 3.23 9.67 -97.85 3 3 2 35 259.397 3

Activity (Go SEA)

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