UCSF

ZINC37334239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 No

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) 0.90 6.06 -32.83 1 6 0 81 223.232 5
Hi High (pH 8-9.5) 0.90 3.83 -29.51 0 6 -1 80 222.224 5
Mid Mid (pH 6-8) 0.90 6.5 -50.4 2 6 1 83 224.24 5

Activity (Go SEA)

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