UCSF

ZINC09446020

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 18 Yes

Other Names:

MFCD01419512

MFCD01595287

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) 2.52 6.08 -12.86 1 4 0 63 260.318 4
Hi High (pH 8-9.5) 2.98 4.96 -47.72 0 4 -1 66 259.31 4
Mid Mid (pH 6-8) 2.52 5.46 -17.95 1 4 0 63 260.318 4

Activity (Go SEA)

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