UCSF

ZINC53131963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 3.34 9.15 -45.09 2 2 1 29 255.385 7
Lo Low (pH 4.5-6) 3.34 9.62 -100.98 3 2 2 31 256.393 7

Activity (Go SEA)

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