UCSF

ZINC37015729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 2.14 6.19 -42.41 3 4 1 49 292.428 3
Mid Mid (pH 6-8) 2.14 4.82 -8.42 2 4 0 44 291.42 3

Activity (Go SEA)

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