UCSF

ZINC36763969

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 1.46 -0.92 -10.61 2 6 0 91 308.359 4
Lo Low (pH 4.5-6) 1.46 0.23 -36.48 3 6 1 93 309.367 4

Activity (Go SEA)

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