UCSF

ZINC43834833

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 30 No

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) 3.86 9.29 -112.53 7 6 2 105 426.69 17
Hi High (pH 8-9.5) 3.86 8.95 -55.69 6 6 1 103 425.682 17

Activity (Go SEA)

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