UCSF

ZINC48695461

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 15 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) 0.92 4.1 -102.34 4 3 2 41 216.369 7
Hi High (pH 8-9.5) 0.92 2.75 -32.3 3 3 1 37 215.361 7
Mid Mid (pH 6-8) 0.92 1.98 -40.06 3 3 1 40 215.361 7

Activity (Go SEA)

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