UCSF

ZINC08424410

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 32 No

Other Names:

MFCD01028802

MFCD02669210

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) 3.13 7.32 -28.33 3 10 0 149 429.392 5
Ref Reference (pH 7) 3.13 7.17 -29.31 3 10 0 149 429.392 5
Mid Mid (pH 6-8) 3.59 5.59 -50.71 2 10 -1 152 428.384 5
Mid Mid (pH 6-8) 3.59 5.28 -58.07 2 10 -1 152 428.384 5

Activity (Go SEA)

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