UCSF

ZINC58840747

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2011 15 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) 2.01 6.65 -117.95 4 2 2 33 208.349 7
Hi High (pH 8-9.5) 2.01 5.47 -40.97 3 2 1 29 207.341 7
Hi High (pH 8-9.5) 2.01 4.1 -2.04 2 2 0 24 206.333 7
Mid Mid (pH 6-8) 2.01 5.31 -35.62 3 2 1 29 207.341 7

Activity (Go SEA)

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