UCSF

ZINC34933435

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 30 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) 3.74 9.07 -56.47 0 6 -1 83 422.844 6
Lo Low (pH 4.5-6) 3.74 8.32 -13.28 1 6 0 80 423.852 6

Activity (Go SEA)

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