UCSF

ZINC21708329

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 35 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) 3.37 10.86 -13.81 0 6 0 58 484.522 4
Mid Mid (pH 6-8) 3.37 13.18 -60.95 1 6 1 60 485.53 4

Activity (Go SEA)

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