UCSF

ZINC39964102

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 29 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) 2.43 12.72 -20.47 1 7 0 84 388.427 5
Mid Mid (pH 6-8) 2.43 13.26 -42.64 2 7 1 86 389.435 5

Activity (Go SEA)

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