UCSF

ZINC31903408

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 28 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) 4.11 12.72 -41.56 1 5 1 41 380.512 7
Hi High (pH 8-9.5) 4.11 10.8 -9.55 0 5 0 40 379.504 7

Activity (Go SEA)

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