UCSF

ZINC21198969

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 27 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) 1.40 4.01 -13.11 1 7 0 73 374.437 7
Lo Low (pH 4.5-6) 1.40 5.98 -49.62 2 7 1 74 375.445 7

Activity (Go SEA)

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