UCSF

ZINC27764292

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 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) 3.49 10.96 -62.52 1 4 1 40 368.497 3
Hi High (pH 8-9.5) 3.49 8.87 -13.17 0 4 0 39 367.489 3

Activity (Go SEA)

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