UCSF

ZINC37256162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) 1.10 6.92 -79.87 3 3 2 21 237.391 3
Hi High (pH 8-9.5) 1.10 4.64 -35.43 2 3 1 20 236.383 3
Mid Mid (pH 6-8) 1.10 5.63 -104.81 3 3 2 24 237.391 3
Mid Mid (pH 6-8) 1.10 3.25 -38.67 2 3 1 23 236.383 3

Activity (Go SEA)

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