UCSF

ZINC25540109

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 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) 2.20 5.85 -25.3 1 10 0 104 407.482 4
Mid Mid (pH 6-8) 2.20 6.14 -56.86 2 10 1 106 408.49 4

Activity (Go SEA)

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