UCSF

ZINC06858601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 20 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) 4.21 -4.5 -7.33 1 4 0 59 375.675 3
Hi High (pH 8-9.5) 4.21 -3.92 -34.47 0 4 -1 61 374.667 3

Activity (Go SEA)

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