UCSF

ZINC20307855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 16 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) 0.01 3.54 -46.88 3 4 1 59 220.296 5
Hi High (pH 8-9.5) 0.01 2.24 -10.71 2 4 0 54 219.288 5
Lo Low (pH 4.5-6) 0.01 2.65 -35.52 3 4 1 55 220.296 5

Activity (Go SEA)

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