UCSF

ZINC42671949

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 27 Yes

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) 3.02 9.7 -46.06 3 5 1 63 388.919 8
Hi High (pH 8-9.5) 3.02 6.72 -10.63 2 5 0 61 387.911 8

Activity (Go SEA)

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