UCSF

ZINC50145228

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2010 12 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) -0.30 1.53 -38.5 2 3 1 37 169.248 1
Hi High (pH 8-9.5) -0.30 0.17 -4.9 1 3 0 32 168.24 1

Activity (Go SEA)

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