UCSF

ZINC13550234

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 26 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) 5.11 7.89 -13.16 2 6 0 84 479.128 4
Hi High (pH 8-9.5) 5.11 8.9 -55.26 1 6 -1 87 478.12 4

Activity (Go SEA)

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