UCSF

ZINC03000309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 18 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) 1.75 6.18 -43.85 2 6 1 81 255.294 8
Hi High (pH 8-9.5) 1.75 4.78 -10.38 1 6 0 76 254.286 8

Activity (Go SEA)

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