UCSF

ZINC13213273

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 12 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) 0.97 2.18 -9.63 1 5 0 58 166.184 3
Lo Low (pH 4.5-6) 1.21 0.83 -29.89 2 5 1 62 167.192 2

Activity (Go SEA)

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