UCSF

ZINC35051017

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 12 No

CAS Number: 156719-37-8

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) -1.02 -2.81 -54.16 6 5 0 100 191.256 5
Hi High (pH 8-9.5) -1.02 -3.13 -44.31 5 5 -1 98 190.248 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.