UCSF

ZINC35698435

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 No

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) 2.18 9.31 -31.8 2 4 1 42 312.484 5
Mid Mid (pH 6-8) 2.64 8.15 -32.55 1 4 0 45 311.476 5

Activity (Go SEA)

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