UCSF

ZINC16945440

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.70 7.38 -115.62 3 2 2 21 254.805 2
Hi High (pH 8-9.5) 3.70 6.48 -1.38 1 2 0 15 252.789 2
Mid Mid (pH 6-8) 3.70 7.71 -42.38 2 2 1 20 253.797 2

Activity (Go SEA)

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