UCSF

ZINC25449535

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 34 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) 5.13 9.08 -31.21 2 8 0 110 494.598 8
Hi High (pH 8-9.5) 5.20 8.18 -58.88 1 8 -1 117 493.59 8
Hi High (pH 8-9.5) 5.13 9.15 -68.85 1 8 -1 112 493.59 8
Hi High (pH 8-9.5) 5.20 8.25 -114.78 0 8 -2 119 492.582 8

Activity (Go SEA)

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