UCSF

ZINC37004135

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.88 4.89 -98.83 1 7 -2 126 299.304 7
Hi High (pH 8-9.5) 0.88 4.97 -169.06 0 7 -3 128 298.296 7

Activity (Go SEA)

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