UCSF

ZINC33748472

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 12 Yes

Other Names:

MFCD07528161

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) 1.41 0.16 -6.85 3 3 0 59 160.176 0
Lo Low (pH 4.5-6) 0.11 0.79 -32.02 4 3 1 62 161.184 0

Activity (Go SEA)

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