UCSF

ZINC36869901

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 0.70 1.82 -62.84 3 4 1 65 283.417 4
Mid Mid (pH 6-8) 0.70 2.95 -153.97 4 4 2 66 284.425 4

Activity (Go SEA)

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