UCSF

ZINC42477265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 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) 1.01 2.05 -43.74 4 5 1 77 298.432 5
Mid Mid (pH 6-8) 1.01 0.85 -54.85 4 5 1 80 298.432 5
Lo Low (pH 4.5-6) 1.01 3.23 -121.66 5 5 2 81 299.44 5

Activity (Go SEA)

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