UCSF

ZINC31030472

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2009 23 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) 2.11 4.68 -39.84 3 7 1 77 315.353 4
Mid Mid (pH 6-8) 2.11 4.39 -14.9 2 7 0 76 314.345 4

Activity (Go SEA)

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