UCSF

ZINC33547971

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 32 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) 3.93 10.64 -60.65 0 6 -1 83 428.464 8
Lo Low (pH 4.5-6) 3.93 9.81 -13.61 1 6 0 80 429.472 8

Activity (Go SEA)

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