UCSF

ZINC01166111

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 30 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) 4.58 -7.59 -14.4 2 7 0 101 466.968 7
Hi High (pH 8-9.5) 4.58 -7.02 -41.54 1 7 -1 103 465.96 7
Hi High (pH 8-9.5) 4.58 -6.46 -96.58 0 7 -2 105 464.952 7
Hi High (pH 8-9.5) 4.58 -7.04 -48.44 1 7 -1 103 465.96 7

Activity (Go SEA)

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