UCSF

ZINC00858706

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 21 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) 3.95 6.39 -18.1 2 5 0 75 297.339 3
Hi High (pH 8-9.5) 3.47 4.02 -55.07 1 5 -1 81 296.331 3
Hi High (pH 8-9.5) 3.95 7.4 -62.93 1 5 -1 78 296.331 3

Activity (Go SEA)

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