UCSF

ZINC34698964

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 37 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) 5.91 12.82 -15.19 0 5 0 42 504.646 10
Mid Mid (pH 6-8) 5.91 15.32 -54.03 1 5 1 43 505.654 10

Activity (Go SEA)

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