UCSF

ZINC43801736

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 17 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) 0.90 3.9 -55.12 3 4 1 55 239.27 2
Hi High (pH 8-9.5) 0.90 2.55 -10.38 2 4 0 50 238.262 2

Activity (Go SEA)

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