UCSF

ZINC08440096

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 No

Other Names:

MFCD03696141

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) 3.33 10.73 -38.66 0 6 -1 83 427.48 8
Mid Mid (pH 6-8) 3.77 -0.49 -28.68 1 6 0 79 428.488 7
Mid Mid (pH 6-8) 2.74 -0.22 -23.64 0 6 0 76 428.488 8
Lo Low (pH 4.5-6) 3.77 -0.38 -68.49 2 6 1 80 429.496 7
Lo Low (pH 4.5-6) 2.74 -0.11 -61.04 1 6 1 77 429.496 8

Activity (Go SEA)

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