UCSF

ZINC44831872

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 11 No

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 0.87 -32.95 1 3 -1 52 177.155 1
Lo Low (pH 4.5-6) 0.44 2.2 -12.81 2 3 0 49 178.163 1

Activity (Go SEA)

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