UCSF

ZINC40447990

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 14 Yes

Other Names:

MFCD11840275

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) 2.09 5.1 -47.58 0 4 -1 57 254.063 1
Mid Mid (pH 6-8) 2.09 5.54 -38.9 1 4 0 59 255.071 1

Activity (Go SEA)

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