UCSF

ZINC04117223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 29 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) 2.66 5.04 -43.06 1 5 1 81 383.475 3
Lo Low (pH 4.5-6) 2.66 5.15 -97.21 2 5 2 83 384.483 3

Activity (Go SEA)

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