UCSF

ZINC36638648

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 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) 0.52 4.98 -61.07 0 7 -1 107 385.487 4
Mid Mid (pH 6-8) 0.52 5.85 -59.07 1 7 0 109 386.495 4

Activity (Go SEA)

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