UCSF

ZINC31933682

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 2.51 6.59 -55.4 3 4 1 62 286.38 4
Mid Mid (pH 6-8) 2.51 4.8 -20.66 2 4 0 58 285.372 4

Activity (Go SEA)

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