UCSF

ZINC01146231

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 31 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) 4.73 -6.83 -15.35 2 7 0 101 460.577 7
Hi High (pH 8-9.5) 4.73 -6.25 -43.76 1 7 -1 103 459.569 7
Hi High (pH 8-9.5) 4.73 -5.68 -99.73 0 7 -2 105 458.561 7
Hi High (pH 8-9.5) 4.73 -6.25 -49.58 1 7 -1 103 459.569 7

Activity (Go SEA)

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