UCSF

ZINC37871796

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 13 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) 2.90 6.99 -39.55 2 1 1 17 196.701 4
Mid Mid (pH 6-8) 2.90 5.62 -2.64 1 1 0 12 195.693 4

Activity (Go SEA)

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