UCSF

ZINC36359154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 29 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) 1.35 3.92 -13.05 2 7 0 74 392.459 4
Mid Mid (pH 6-8) 1.35 6.18 -41.1 3 7 1 75 393.467 4
Mid Mid (pH 6-8) 2.01 4.85 -86.51 4 7 2 80 394.475 4

Activity (Go SEA)

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