UCSF

ZINC33364525

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2009 37 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) 4.86 12.43 -53.2 0 8 -1 101 521.615 11
Lo Low (pH 4.5-6) 4.86 11.13 -20.34 1 8 0 98 522.623 11

Activity (Go SEA)

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