UCSF

ZINC14160250

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2008 27 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) 3.59 8.91 -44.47 2 6 1 59 369.489 7
Mid Mid (pH 6-8) 3.59 6.74 -40.85 2 6 1 59 369.489 7
Mid Mid (pH 6-8) 3.59 6.44 -11.94 1 6 0 58 368.481 7

Activity (Go SEA)

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