UCSF

ZINC41720514

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 2.93 2.85 -28.11 3 3 1 46 217.292 4
Hi High (pH 8-9.5) 2.93 2.93 -7.49 2 3 0 45 216.284 4

Activity (Go SEA)

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