UCSF

ZINC04809236

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 29 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) 3.70 -4.08 -15.28 2 6 0 84 410.495 7
Hi High (pH 8-9.5) 3.70 -3.66 -58 1 6 -1 86 409.487 7

Activity (Go SEA)

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