UCSF

ZINC08767028

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 24 No

Download: MOL2 SDF SMILES Flexibase

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) 4.16 8.4 -19.18 1 5 0 64 337.404 5
Hi High (pH 8-9.5) 4.34 7.32 -47.82 0 5 -1 70 336.396 5

Activity (Go SEA)

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