UCSF

ZINC33781328

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 30 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) 3.21 7.09 -13.87 2 7 0 127 401.47 4
Lo Low (pH 4.5-6) 3.21 6.93 -54.37 3 7 1 129 402.478 4

Activity (Go SEA)

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