UCSF

ZINC67643591

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 25 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) 0.24 3.8 -45.72 4 7 1 93 344.439 2
Mid Mid (pH 6-8) 0.24 1.62 -15.29 3 7 0 92 343.431 2
Mid Mid (pH 6-8) 0.24 2.03 -34.59 4 7 1 93 344.439 2
Mid Mid (pH 6-8) 0.24 4.21 -91.61 5 7 2 94 345.447 2

Activity (Go SEA)

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