UCSF

ZINC44725311

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.23 0.78 -42.94 2 6 1 59 260.358 8
Hi High (pH 8-9.5) -1.23 -0.65 -11.1 1 6 0 54 259.35 8
Mid Mid (pH 6-8) -1.23 3.13 -98.39 3 6 2 60 261.366 8
Mid Mid (pH 6-8) -1.23 1.7 -46.86 2 6 1 55 260.358 8

Activity (Go SEA)

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