UCSF

ZINC37856043

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) 2.97 7.48 -108.01 4 3 2 41 321.292 9
Hi High (pH 8-9.5) 2.97 6.13 -33.67 3 3 1 37 320.284 9
Mid Mid (pH 6-8) 2.97 7.92 -44.35 3 3 1 44 320.284 9

Activity (Go SEA)

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