UCSF

ZINC13566171

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 29 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) 2.37 7.52 -15.28 2 9 0 134 428.499 8
Hi High (pH 8-9.5) 2.37 7.32 -48.03 1 9 -1 132 427.491 8

Activity (Go SEA)

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