UCSF

ZINC06416291

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 20 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) 3.18 -1.23 -11.84 1 4 0 69 310.737 3
Hi High (pH 8-9.5) 3.18 -0.67 -37.9 0 4 -1 72 309.729 3

Activity (Go SEA)

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