UCSF

ZINC03353681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 23 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
Ref Reference (pH 7) 4.04 6.29 -13.47 1 5 0 60 395.278 3
Hi High (pH 8-9.5) 4.04 5.31 -39.83 0 5 -1 63 394.27 3

Activity (Go SEA)

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