UCSF

ZINC45649902

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 0.90 2.97 -30.49 2 3 1 26 187.307 5
Hi High (pH 8-9.5) 0.90 0.5 -2.53 1 3 0 24 186.299 5
Lo Low (pH 4.5-6) 0.90 1.7 -35.27 2 3 1 29 187.307 5

Activity (Go SEA)

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