UCSF

ZINC37249955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) 0.62 6.04 -105.13 3 4 2 41 229.368 5
Hi High (pH 8-9.5) 0.62 4.87 -39.36 2 4 1 37 228.36 5
Mid Mid (pH 6-8) 0.62 3.65 -39.7 2 4 1 40 228.36 5

Activity (Go SEA)

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