UCSF

ZINC42392560

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 20 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
Mid Mid (pH 6-8) 2.34 6.64 -95.73 4 3 2 35 342.325 5
Lo Low (pH 4.5-6) 2.34 8.81 -203.68 5 3 3 37 343.333 5

Activity (Go SEA)

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