UCSF

ZINC34943525

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 3.42 10.92 -57.41 0 8 -1 115 423.445 8
Lo Low (pH 4.5-6) 3.42 10.03 -15.6 1 8 0 113 424.453 8

Activity (Go SEA)

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