UCSF

ZINC36986786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 1.66 6.44 -36.8 3 2 1 30 255.432 4
Mid Mid (pH 6-8) 1.66 4.66 -7.73 2 2 0 29 254.424 4

Activity (Go SEA)

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