UCSF

ZINC37173749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 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) 2.52 7.13 -10.81 2 3 0 42 237.372 5
Lo Low (pH 4.5-6) 2.52 7.22 -39.67 3 3 1 43 238.38 5

Activity (Go SEA)

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