UCSF

ZINC36996537

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.44 6.6 -32.38 2 2 1 16 237.392 3
Lo Low (pH 4.5-6) 2.44 5.48 -38.92 2 2 1 20 237.392 3
Lo Low (pH 4.5-6) 2.44 7.74 -108.62 3 2 2 21 238.4 3

Activity (Go SEA)

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