UCSF

ZINC42461789

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.29 6.04 -36.21 3 3 1 34 252.357 2
Hi High (pH 8-9.5) 2.29 3.98 -3.93 2 3 0 32 251.349 2

Activity (Go SEA)

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