UCSF

ZINC33961910

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 16 Yes

Other Names:

MFCD16047597

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) 2.42 8.4 -115.27 3 2 2 21 220.36 4
Mid Mid (pH 6-8) 2.42 6.5 -38.79 2 2 1 20 219.352 4

Activity (Go SEA)

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