UCSF

ZINC37040055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.19 2.21 -54.49 5 6 1 103 278.332 7
Mid Mid (pH 6-8) 1.65 -0.44 -90.13 4 6 0 106 277.324 7

Activity (Go SEA)

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