UCSF

ZINC36448399

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 13 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) 0.47 1.2 -4.84 3 4 0 73 189.255 5
Mid Mid (pH 6-8) 0.47 1.48 -42.47 4 4 1 74 190.263 5

Activity (Go SEA)

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