UCSF

ZINC36137976

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 0.35 1.98 -51.25 2 7 -1 115 299.328 6
Lo Low (pH 4.5-6) 0.35 0.01 -15.16 3 7 0 113 300.336 6

Activity (Go SEA)

Rings

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