UCSF

ZINC37875173

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 13 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) -0.20 0.92 -95.25 4 4 2 51 192.303 7
Hi High (pH 8-9.5) -0.20 -0.28 -34.77 3 4 1 46 191.295 7
Mid Mid (pH 6-8) -0.20 1.51 -38.26 3 4 1 53 191.295 7

Activity (Go SEA)

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