UCSF

ZINC37001030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 1.33 0.82 -53.68 5 4 1 77 241.355 2
Mid Mid (pH 6-8) 1.33 0.94 -7.26 4 4 0 75 240.347 2

Activity (Go SEA)

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