UCSF

ZINC04267186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 23 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) 3.16 9.93 -31.01 2 4 1 42 325.461 6
Lo Low (pH 4.5-6) 3.16 11.89 -85 3 4 2 43 326.469 6

Activity (Go SEA)

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