UCSF

ZINC28769707

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 40 No

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) -4.90 -4.18 -129.65 13 17 1 288 572.644 17
Hi High (pH 8-9.5) -4.90 -5.54 -83.33 12 17 0 284 571.636 17

Activity (Go SEA)

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