UCSF

ZINC36128265

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) -0.09 0.08 -94.8 6 6 2 85 294.399 6
Hi High (pH 8-9.5) -0.09 -2.66 -10.11 4 6 0 82 292.383 6
Mid Mid (pH 6-8) -0.09 -2.28 -56.4 5 6 1 83 293.391 6

Activity (Go SEA)

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