UCSF

ZINC60275294

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 1.73 3.63 -102.64 5 3 2 47 241.423 7
Hi High (pH 8-9.5) 1.73 2.48 -42.92 4 3 1 43 240.415 7
Lo Low (pH 4.5-6) 1.73 5.66 -228.87 6 3 3 49 242.431 7

Activity (Go SEA)

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