UCSF

ZINC36229486

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 13 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) 0.02 2.85 -27.07 2 4 1 40 184.263 6
Hi High (pH 8-9.5) 0.02 2.39 -7.71 1 4 0 39 183.255 6
Mid Mid (pH 6-8) 0.02 4.21 -101.44 3 4 2 45 185.271 6
Mid Mid (pH 6-8) 0.02 3.76 -41.3 2 4 1 44 184.263 6

Activity (Go SEA)

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