UCSF

ZINC19925920

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 33 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) 0.85 1.82 -20.65 3 14 0 168 457.451 8
Mid Mid (pH 6-8) 0.85 4.15 -53.86 4 14 1 169 458.459 8

Activity (Go SEA)

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