UCSF

ZINC08897400

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 35 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) 1.80 6.84 -58.39 0 9 -1 112 498.581 9
Mid Mid (pH 6-8) 1.22 9.41 -55.13 1 9 1 107 500.597 9
Mid Mid (pH 6-8) 2.25 9.53 -50.13 2 9 1 110 500.597 8
Mid Mid (pH 6-8) 1.80 9.17 -73.28 1 9 0 113 499.589 9

Activity (Go SEA)

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