UCSF

ZINC00155049

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 3.09 -1.96 -10.46 1 4 0 69 292.747 3
Hi High (pH 8-9.5) 3.09 -1.39 -39.19 0 4 -1 72 291.739 3

Activity (Go SEA)

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