UCSF

ZINC25149914

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 33 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) 2.67 9.73 -59.32 1 8 -1 113 462.555 6
Mid Mid (pH 6-8) 2.21 11.52 -17.53 2 8 0 110 463.563 6

Activity (Go SEA)

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