UCSF

ZINC24823093

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 32 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) 4.50 9.93 -19.43 0 7 0 72 454.958 8
Mid Mid (pH 6-8) 4.50 12.23 -65.14 1 7 1 73 455.966 8

Activity (Go SEA)

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