UCSF

ZINC35415459

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) -0.52 3.3 -59.76 3 5 0 86 212.249 7
Hi High (pH 8-9.5) -0.33 0.84 -65.97 2 5 -1 92 211.241 7
Hi High (pH 8-9.5) -0.52 2.15 -51.58 2 5 -1 81 211.241 7

Activity (Go SEA)

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