UCSF

ZINC21638211

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 2.40 8.62 -46.42 2 6 1 63 326.424 3
Mid Mid (pH 6-8) 2.40 6.15 -10.39 1 6 0 61 325.416 3

Activity (Go SEA)

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