UCSF

ZINC36380622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 25 Yes

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) 3.88 10.84 -9.2 1 4 0 51 326.403 4
Lo Low (pH 4.5-6) 3.88 11.3 -34.55 2 4 1 52 327.411 4
Lo Low (pH 4.5-6) 3.88 11.76 -85.36 3 4 2 53 328.419 4

Activity (Go SEA)

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