UCSF

ZINC03539961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 26 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) 3.19 8.84 -53.13 2 5 1 52 365.4 8
Hi High (pH 8-9.5) 3.01 5.58 -40.51 0 5 -1 57 363.384 8

Activity (Go SEA)

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