UCSF

ZINC06418417

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 19 No

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) 1.41 7.8 -55.4 0 5 -1 74 262.285 3
Lo Low (pH 4.5-6) 1.41 6.81 -18.86 1 5 0 71 263.293 3

Activity (Go SEA)

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