UCSF

ZINC00863572

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 19 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) 3.08 4.31 -7.59 1 4 0 59 317.197 3
Hi High (pH 8-9.5) 3.08 4.4 -35.42 0 4 -1 61 316.189 3
Lo Low (pH 4.5-6) 3.08 4.58 -39.87 2 4 1 60 318.205 3

Activity (Go SEA)

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