UCSF

ZINC05730532

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 24 Yes

Other Names:

MFCD03786229

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) 4.58 7.36 -12.76 1 4 0 60 336.265 3
Hi High (pH 8-9.5) 4.58 8.16 -36.81 0 4 -1 63 335.257 3

Activity (Go SEA)

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