UCSF

ZINC14244150

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 30 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) 3.41 9.44 -24.81 3 9 0 130 403.398 6
Hi High (pH 8-9.5) 3.41 8.96 -44.05 2 9 -1 128 402.39 6

Activity (Go SEA)

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