UCSF

ZINC43709036

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 18 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) -0.28 0.18 -57.83 4 6 1 84 253.278 3
Hi High (pH 8-9.5) -0.28 -1.17 -13.67 3 6 0 80 252.27 3

Activity (Go SEA)

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