UCSF

ZINC37054332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.08 2.06 -48.85 2 5 -1 87 282.37 4
Mid Mid (pH 6-8) 3.01 2.61 -14.7 3 5 0 88 283.378 3

Activity (Go SEA)

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