UCSF

ZINC13468406

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 25 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) 4.07 11.72 -60.25 1 4 -1 69 342.459 5
Lo Low (pH 4.5-6) 4.07 9.56 -12.98 2 4 0 66 343.467 5

Activity (Go SEA)

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