UCSF

ZINC01400227

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 17 Yes

Other Names:

MFCD00141334

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) 3.03 7.23 -51.38 0 4 -1 54 244.661 1
Mid Mid (pH 6-8) 3.03 6.22 -15.14 1 4 0 51 245.669 1

Activity (Go SEA)

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