UCSF

ZINC34439480

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 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) -0.32 4.74 -46.61 2 4 1 44 184.263 7
Hi High (pH 8-9.5) -0.32 3.4 -7.51 1 4 0 39 183.255 7
Mid Mid (pH 6-8) -0.32 5.25 -91.04 3 4 2 45 185.271 7

Activity (Go SEA)

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