UCSF

ZINC16996023

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 28 Yes

Other Names:

MFCD03356242

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) 6.18 12.95 -15.96 1 4 0 55 411.596 8
Hi High (pH 8-9.5) 6.36 11.89 -42.42 0 4 -1 61 410.588 8

Activity (Go SEA)

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