UCSF

ZINC70504909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.48 4.48 -41.48 3 4 1 49 281.42 5
Mid Mid (pH 6-8) 1.48 6.59 -28.81 3 4 1 49 281.42 5
Mid Mid (pH 6-8) 1.48 6.55 -112.67 4 4 2 51 282.428 5

Activity (Go SEA)

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