UCSF

ZINC09191865

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 32 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) 4.28 -4.15 -21.85 2 7 0 97 467.572 6
Hi High (pH 8-9.5) 4.28 -3.68 -56.41 1 7 -1 99 466.564 6

Activity (Go SEA)

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