UCSF

ZINC33771385

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 36 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) 4.08 10.73 -49.62 0 8 -1 105 498.54 8
Lo Low (pH 4.5-6) 4.08 9.43 -19.91 1 8 0 102 499.548 8

Activity (Go SEA)

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