UCSF

ZINC67788503

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 30 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) 2.62 10.23 -57.11 3 6 1 77 406.554 3
Mid Mid (pH 6-8) 2.62 10.55 -84.7 4 6 2 78 407.562 3

Activity (Go SEA)

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