UCSF

ZINC34865470

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 5.53 11.98 -6.63 0 4 0 39 421.459 9
Mid Mid (pH 6-8) 5.53 14.07 -38.76 1 4 1 40 422.467 9

Activity (Go SEA)

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