UCSF

ZINC53126457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 14 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) 0.90 2.34 -5.74 2 3 0 56 196.294 4
Mid Mid (pH 6-8) 0.90 3.16 -44.82 3 3 1 61 197.302 4

Activity (Go SEA)

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