UCSF

ZINC07991650

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.85 6.51 -7.11 0 3 0 31 241.29 4
Lo Low (pH 4.5-6) 2.85 6.99 -36.04 1 3 1 33 242.298 4

Activity (Go SEA)

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