UCSF

ZINC38529150

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 15 Yes

Other Names:

MFCD12910509

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) 0.46 4.04 -40.4 3 3 1 48 205.281 3
Mid Mid (pH 6-8) 0.46 3.7 -9.39 2 3 0 46 204.273 3

Activity (Go SEA)

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