UCSF

ZINC19668716

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 18 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) 1.35 1.49 -42.01 3 4 1 49 271.768 5
Hi High (pH 8-9.5) 1.35 0.14 -5.97 2 4 0 45 270.76 5
Lo Low (pH 4.5-6) 1.35 4.04 -125.9 4 4 2 51 272.776 5

Activity (Go SEA)

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