UCSF

ZINC08440606

Substance Information

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

Other Names:

MFCD03837937

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) 3.39 8.88 -42.19 0 7 -1 88 436.484 11
Mid Mid (pH 6-8) 3.84 -0.23 -29.97 1 7 0 85 437.492 10
Mid Mid (pH 6-8) 2.81 0.03 -25.01 0 7 0 82 437.492 11

Activity (Go SEA)

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