UCSF

ZINC21335317

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 26 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) 4.52 10.24 -19.98 1 5 0 79 449.33 5
Mid Mid (pH 6-8) 4.58 9.34 -46.23 0 5 -1 85 448.322 5

Activity (Go SEA)

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