UCSF

ZINC43389558

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.83 11.23 -113.67 3 3 2 36 295.789 4
Hi High (pH 8-9.5) 2.83 9.18 -7.36 1 3 0 30 293.773 4
Mid Mid (pH 6-8) 2.83 10.08 -51.01 2 3 1 34 294.781 4

Activity (Go SEA)

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