UCSF

ZINC37049378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.79 5.59 -81.44 4 3 2 35 243.439 8
Hi High (pH 8-9.5) 1.79 3.53 -41.01 3 3 1 34 242.431 8
Lo Low (pH 4.5-6) 1.79 7.68 -175.65 5 3 3 37 244.447 8

Activity (Go SEA)

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