UCSF

ZINC37094732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 2.68 4.39 -45.41 3 2 1 31 247.815 6
Hi High (pH 8-9.5) 2.68 4.04 -1.14 2 2 0 29 246.807 6
Lo Low (pH 4.5-6) 2.68 5.9 -126.12 4 2 2 32 248.823 6

Activity (Go SEA)

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