UCSF

ZINC03651662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 12 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) -1.80 1.43 -40.35 3 5 0 86 174.2 5
Hi High (pH 8-9.5) -1.80 0.29 -52.82 2 5 -1 81 173.192 5

Activity (Go SEA)

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