UCSF

ZINC05563575

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 27 No

Other Names:

MFCD02161261

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) 4.53 10.72 -61.48 0 4 -1 60 360.433 6
Mid Mid (pH 6-8) 4.98 1.83 -18.03 1 4 0 57 361.441 5
Mid Mid (pH 6-8) 3.95 1.57 -10.03 0 4 0 54 361.441 6

Activity (Go SEA)

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