UCSF

ZINC33723971

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 39 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) 6.40 15.93 -67.9 1 7 0 83 536.713 17
Lo Low (pH 4.5-6) 6.40 14.63 -49.9 2 7 1 81 537.721 17

Activity (Go SEA)

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