UCSF

ZINC37443650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 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) 2.47 6.63 -46.19 2 3 1 34 238.742 4
Lo Low (pH 4.5-6) 2.47 7.03 -93.52 3 3 2 36 239.75 4

Activity (Go SEA)

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