UCSF

ZINC57405610

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 30 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) 2.20 5.15 -25.53 2 8 0 97 414.437 8
Mid Mid (pH 6-8) 2.66 4.95 -52.4 2 8 0 101 414.437 8

Activity (Go SEA)

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