UCSF

ZINC43017945

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 7.11 12.86 -43.05 2 2 1 29 438.831 5
Hi High (pH 8-9.5) 7.11 11.64 -4.02 1 2 0 25 437.823 5

Activity (Go SEA)

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