UCSF

ZINC20384061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.13 4.83 -37.03 4 4 1 55 221.328 4
Hi High (pH 8-9.5) 1.13 2.54 -7.19 3 4 0 54 220.32 4
Mid Mid (pH 6-8) 1.13 5.19 -89.26 5 4 2 57 222.336 4

Activity (Go SEA)

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