UCSF

ZINC19261812

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 16 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) 2.03 4.19 -45.04 3 2 1 31 288.184 3
Hi High (pH 8-9.5) 2.03 6.22 -28.7 3 2 1 30 288.184 3
Mid Mid (pH 6-8) 2.03 6.22 -119.44 4 2 2 32 289.192 3

Activity (Go SEA)

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