UCSF

ZINC37001571

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) 0.71 5.85 -91.06 1 6 -1 93 299.372 8
Mid Mid (pH 6-8) 0.71 5.47 -77.92 2 6 0 91 300.38 8

Activity (Go SEA)

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