UCSF

ZINC01195539

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 25 No

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) 3.42 5.62 -15.57 2 7 0 93 451.22 5
Hi High (pH 8-9.5) 3.88 3.87 -41.8 1 7 -1 96 450.212 5
Hi High (pH 8-9.5) 3.88 3.6 -53.8 1 7 -1 96 450.212 5

Activity (Go SEA)

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