UCSF

ZINC42450656

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.95 1.74 -43.45 3 3 1 40 201.334 3
Lo Low (pH 4.5-6) 0.95 3.17 -109.09 4 3 2 41 202.342 3

Activity (Go SEA)

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