UCSF

ZINC19864327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 20 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) 1.30 0.84 -39.64 4 6 1 86 284.38 4
Hi High (pH 8-9.5) 1.30 -0.73 -9.64 3 6 0 82 283.372 4

Activity (Go SEA)

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