UCSF

ZINC21032632

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 No

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) 3.04 7.64 -33.04 4 4 1 60 308.471 8
Hi High (pH 8-9.5) 3.04 5.47 -15.77 3 4 0 58 307.463 8

Activity (Go SEA)

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