UCSF

ZINC04070394

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 21 Yes

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) 3.58 7.97 -20.6 1 4 0 55 299.33 3
Hi High (pH 8-9.5) 3.65 6.62 -56.16 0 4 -1 61 298.322 3

Activity (Go SEA)

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