UCSF

ZINC30522248

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2009 24 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) 2.17 5.87 -67.16 2 6 -1 98 331.392 5
Lo Low (pH 4.5-6) 2.17 4.73 -20.12 3 6 0 95 332.4 5

Activity (Go SEA)

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