UCSF

ZINC08415288

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 38 No

Other Names:

MFCD03235727

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) 6.99 14.98 -16.14 2 4 0 58 520.526 5
Mid Mid (pH 6-8) 7.13 3.2 -10.31 1 4 0 58 520.526 5
Mid Mid (pH 6-8) 7.13 2.15 -9.01 1 4 0 58 520.526 5

Activity (Go SEA)

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