UCSF

ZINC45685397

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.04 5.17 -45.77 3 4 1 53 289.399 3
Hi High (pH 8-9.5) 1.04 4.76 -5.78 2 4 0 52 288.391 3
Lo Low (pH 4.5-6) 1.04 6.81 -133.86 4 4 2 54 290.407 3

Activity (Go SEA)

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