UCSF

ZINC45777199

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.86 6.36 -80.65 2 5 2 32 298.475 4
Hi High (pH 8-9.5) 0.86 1.94 -7.05 0 5 0 30 296.459 4
Mid Mid (pH 6-8) 0.86 4.15 -33.29 1 5 1 31 297.467 4

Activity (Go SEA)

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