UCSF

ZINC53157612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 2.05 6.19 -117.13 4 3 2 41 288.794 6
Mid Mid (pH 6-8) 2.05 6.69 -49.57 3 3 1 44 287.786 6
Mid Mid (pH 6-8) 2.05 3.66 -50.95 3 3 1 40 287.786 6

Activity (Go SEA)

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