UCSF

ZINC37246931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) 1.67 3.6 -36.62 2 2 1 20 185.335 4
Hi High (pH 8-9.5) 1.66 2.81 -0.45 1 2 0 15 184.327 4
Mid Mid (pH 6-8) 1.66 4.36 -29.68 2 2 1 16 185.335 4
Mid Mid (pH 6-8) 1.67 5.98 -102.26 3 2 2 21 186.343 4

Activity (Go SEA)

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