UCSF

ZINC34307312

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 29 No

CAS Number: 119169-78-7

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) 4.81 12.02 -56.81 1 4 -1 69 398.567 3
Lo Low (pH 4.5-6) 4.81 10.02 -8.36 2 4 0 66 399.575 3

Activity (Go SEA)

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

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