UCSF

ZINC31255457

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 20 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) 2.85 4.57 -16.62 2 5 0 75 333.141 2
Mid Mid (pH 6-8) 3.31 2.83 -56.12 1 5 -1 78 332.133 2

Activity (Go SEA)

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