UCSF

ZINC12032319

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 25 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) 3.51 4.87 -44.57 1 6 -1 86 350.379 2
Ref Reference (pH 7) 4.46 3.14 -47.92 1 6 -1 91 350.379 1
Mid Mid (pH 6-8) 4.00 4.96 -10.58 2 6 0 87 351.387 1

Activity (Go SEA)

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