UCSF

ZINC25510035

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 1.73 2.74 -50.4 1 8 -1 115 440.498 6
Mid Mid (pH 6-8) 1.73 2.67 -18.09 2 8 0 113 441.506 6

Activity (Go SEA)

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