UCSF

ZINC24192915

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 34 No

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) 2.21 6.83 -61.48 0 8 -1 91 463.51 6
Mid Mid (pH 6-8) 2.21 9.16 -77.46 1 8 0 93 464.518 6

Activity (Go SEA)

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