UCSF

ZINC21212748

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 30 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) 3.59 10.65 -55.19 2 6 1 61 407.538 10
Hi High (pH 8-9.5) 3.59 8.34 -18.65 1 6 0 59 406.53 10

Activity (Go SEA)

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