UCSF

ZINC25149821

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 34 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) 2.93 10.26 -56.27 0 8 -1 104 476.582 6
Mid Mid (pH 6-8) 2.47 12.05 -15.18 1 8 0 101 477.59 6

Activity (Go SEA)

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