UCSF

ZINC35702129

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 13 Yes

Other Names:

MFCD14589772

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) -0.47 1.63 -44.01 3 4 1 61 183.231 3
Hi High (pH 8-9.5) -0.47 1.3 -11.84 2 4 0 59 182.223 3

Activity (Go SEA)

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