UCSF

ZINC37101277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.86 8.12 -28.92 2 3 1 35 279.363 4
Mid Mid (pH 6-8) 3.86 7.77 -7.87 1 3 0 34 278.355 4

Activity (Go SEA)

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