UCSF

ZINC25445592

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 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) 1.95 3.15 -21.18 2 8 0 110 398.51 8
Hi High (pH 8-9.5) 2.13 1.51 -46.85 1 8 -1 117 397.502 8

Activity (Go SEA)

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