UCSF

ZINC40505572

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 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) 1.03 2.94 -31.38 2 3 1 29 200.331 5
Hi High (pH 8-9.5) 1.03 0.38 -3.81 1 3 0 28 199.323 5
Lo Low (pH 4.5-6) 1.03 4.23 -109.72 3 3 2 34 201.339 5

Activity (Go SEA)

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