UCSF

ZINC22175206

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 1.20 8.13 -80.64 1 5 0 65 276.336 4
Mid Mid (pH 6-8) 1.20 5.82 -66.09 0 5 -1 64 275.328 4

Activity (Go SEA)

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