UCSF

ZINC13551208

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 25 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) 1.03 1.75 -49.83 1 8 -1 100 343.363 4
Lo Low (pH 4.5-6) 0.58 4.29 -9.81 2 8 0 96 344.371 4

Activity (Go SEA)

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