UCSF

ZINC19621310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 16 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) 1.56 4.24 -35.92 3 4 1 47 221.328 3
Hi High (pH 8-9.5) 1.56 1.87 -6.63 2 4 0 45 220.32 3
Mid Mid (pH 6-8) 1.56 2.15 -28.43 3 4 1 47 221.328 3

Activity (Go SEA)

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