UCSF

ZINC43396105

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.21 1.31 -43.06 3 3 1 50 221.202 4
Hi High (pH 8-9.5) 1.21 0.89 -5.86 2 3 0 48 220.194 4

Activity (Go SEA)

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