UCSF

ZINC34603505

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 0.08 8.6 -118.65 3 7 0 102 407.417 4
Hi High (pH 8-9.5) 0.08 8.39 -71.4 2 7 -1 101 406.409 4
Mid Mid (pH 6-8) 0.08 6.59 -71.89 4 7 1 99 408.425 4
Lo Low (pH 4.5-6) -2.66 5.36 -97.58 4 7 1 105 408.425 3

Activity (Go SEA)

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