UCSF

ZINC16732413

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 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) 3.62 9.07 -15.37 1 6 0 76 437.467 8
Mid Mid (pH 6-8) 3.03 9.77 -22.44 0 6 0 73 437.467 8

Activity (Go SEA)

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