UCSF

ZINC34943753

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 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) 4.70 12.95 -48.82 0 7 -1 88 514.598 11
Lo Low (pH 4.5-6) 4.70 12.2 -14.2 1 7 0 85 515.606 11

Activity (Go SEA)

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