UCSF

ZINC08837539

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 34 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) 2.58 6.34 -57.91 0 8 -1 91 485.944 8
Mid Mid (pH 6-8) 2.58 8.46 -49.12 2 8 1 90 487.96 8
Mid Mid (pH 6-8) 2.00 8.83 -52.44 1 8 1 87 487.96 8
Mid Mid (pH 6-8) 2.58 8.69 -71.09 1 8 0 93 486.952 8

Activity (Go SEA)

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