UCSF

ZINC00179583

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Other Names:

MFCD00435429

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) 3.01 -3.83 -9.87 1 4 0 59 327.203 3
Hi High (pH 8-9.5) 3.01 -3.26 -40.63 0 4 -1 61 326.195 3

Activity (Go SEA)

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