UCSF

ZINC43972476

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 4.18 9.82 -104.8 3 2 2 21 256.478 9
Hi High (pH 8-9.5) 4.18 8.78 -30.34 2 2 1 16 255.47 9
Hi High (pH 8-9.5) 4.18 9.47 -31.14 2 2 1 20 255.47 9

Activity (Go SEA)

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