UCSF

ZINC37079868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.06 3.68 -40.58 3 3 1 40 233.335 3
Hi High (pH 8-9.5) 0.06 3.39 -3.32 2 3 0 38 232.327 3
Mid Mid (pH 6-8) 0.06 5.29 -32.89 3 3 1 40 233.335 3
Mid Mid (pH 6-8) 0.06 5.6 -120.72 4 3 2 41 234.343 3

Activity (Go SEA)

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