UCSF

ZINC22742563

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) 3.11 6.81 -22.21 1 6 0 81 341.44 5
Mid Mid (pH 6-8) 3.18 5.9 -50.43 0 6 -1 87 340.432 5

Activity (Go SEA)

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