UCSF

ZINC08396526

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 32 Yes

Other Names:

MFCD01243958

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) 3.91 13.16 -54.64 1 6 1 52 439.576 10
Mid Mid (pH 6-8) 3.91 10.91 -11.27 0 6 0 51 438.568 10

Activity (Go SEA)

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