UCSF

ZINC34932056

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 39 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) 6.80 15.22 -57.91 0 6 -1 79 526.653 13
Lo Low (pH 4.5-6) 6.80 14.47 -12.02 1 6 0 76 527.661 13

Activity (Go SEA)

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