UCSF

ZINC40039849

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 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) 3.02 6.79 -16.86 1 7 0 91 437.587 7
Mid Mid (pH 6-8) 3.48 4.55 -47.01 0 7 -1 94 436.579 7

Activity (Go SEA)

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