UCSF

ZINC00944057

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 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) 4.33 -8.05 -16.09 2 8 0 110 476.576 10
Hi High (pH 8-9.5) 4.33 -7.47 -45.13 1 8 -1 112 475.568 10
Hi High (pH 8-9.5) 4.33 -6.9 -99.51 0 8 -2 114 474.56 10

Activity (Go SEA)

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