UCSF

ZINC41680481

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.76 7.84 -77.43 3 3 2 24 243.439 5
Hi High (pH 8-9.5) 1.76 7.42 -88.05 3 3 2 21 243.439 5
Lo Low (pH 4.5-6) 1.76 8.57 -170.86 4 3 3 25 244.447 5

Activity (Go SEA)

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