UCSF

ZINC37108224

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) 2.55 4.41 -46.24 3 2 1 31 247.815 5
Hi High (pH 8-9.5) 2.55 3.79 -1.74 2 2 0 29 246.807 5
Lo Low (pH 4.5-6) 2.55 6.17 -119.95 4 2 2 32 248.823 5

Activity (Go SEA)

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