UCSF

ZINC41663584

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 2.44 4.48 -62.91 2 5 0 68 331.247 5
Hi High (pH 8-9.5) 2.63 6.11 -41.12 3 5 1 58 332.255 5
Hi High (pH 8-9.5) 2.63 5.24 -46.13 3 5 1 62 332.255 5

Activity (Go SEA)

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