UCSF

ZINC37393613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 17 No

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) -0.29 -0.03 -42.31 3 5 1 58 260.383 5
Mid Mid (pH 6-8) -0.29 -1.23 -11.19 2 5 0 54 259.375 5
Mid Mid (pH 6-8) -0.29 2.24 -94.89 4 5 2 59 261.391 5
Mid Mid (pH 6-8) -0.29 1.04 -47.83 3 5 1 55 260.383 5

Activity (Go SEA)

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