UCSF

ZINC37855963

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.03 1.82 -104.75 4 5 2 54 275.437 10
Hi High (pH 8-9.5) 0.03 0.4 -34.41 3 5 1 49 274.429 10
Mid Mid (pH 6-8) 0.03 2.34 -44.21 3 5 1 57 274.429 10
Lo Low (pH 4.5-6) 0.03 4.09 -183.12 5 5 3 55 276.445 10

Activity (Go SEA)

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