UCSF

ZINC21507399

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 4.02 8.54 -41.86 2 2 1 29 275.441 4
Hi High (pH 8-9.5) 4.02 7.24 -6.4 1 2 0 25 274.433 4

Activity (Go SEA)

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