UCSF

ZINC42461785

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) 1.32 5.34 -37.18 3 5 1 52 252.386 2
Hi High (pH 8-9.5) 1.32 3.27 -4.33 2 5 0 50 251.378 2
Mid Mid (pH 6-8) 1.32 5.45 -78.62 4 5 2 53 253.394 2

Activity (Go SEA)

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