UCSF

ZINC33814273

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.09 8.31 -51.13 0 10 -1 115 494.524 10
Lo Low (pH 4.5-6) 2.09 7.18 -25.2 1 10 0 112 495.532 10

Activity (Go SEA)

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