UCSF

ZINC59145925

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 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) -0.52 6.66 -40.62 3 6 0 101 289.335 3
Mid Mid (pH 6-8) -0.52 6.45 -64.7 2 6 -1 99 288.327 3
Mid Mid (pH 6-8) -0.52 6 -32.42 3 6 0 101 289.335 3

Activity (Go SEA)

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