UCSF

ZINC37038325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 Yes

Other Names:

MFCD07774215

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) 0.34 2.96 -47.87 3 5 1 60 244.359 4
Mid Mid (pH 6-8) 0.34 4.76 -121.67 4 5 2 62 245.367 4
Mid Mid (pH 6-8) 0.34 4.36 -37.03 3 5 1 60 244.359 4

Activity (Go SEA)

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