UCSF

ZINC13676084

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 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) 5.17 9.24 -25.02 2 7 0 102 472.95 8
Hi High (pH 8-9.5) 5.17 9.34 -62.48 1 7 -1 104 471.942 8

Activity (Go SEA)

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