UCSF

ZINC37856683

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.50 2.46 -11.77 2 5 0 79 312.416 5
Mid Mid (pH 6-8) 2.95 0.17 -42.25 1 5 -1 82 311.408 5

Activity (Go SEA)

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