UCSF

ZINC33773212

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 4.02 11.58 -51.31 0 9 -1 114 522.603 11
Lo Low (pH 4.5-6) 4.02 10.3 -21.57 1 9 0 111 523.611 11

Activity (Go SEA)

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