UCSF

ZINC49475259

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 16 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) 0.07 5.5 -66.21 2 5 0 74 228.292 4
Hi High (pH 8-9.5) 0.07 3.1 -47.15 1 5 -1 72 227.284 4

Activity (Go SEA)

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