UCSF

ZINC36132507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 2.43 9.56 -55.64 0 4 -1 60 294.346 6
Lo Low (pH 4.5-6) 2.43 7.79 -10.44 1 4 0 58 295.354 6

Activity (Go SEA)

Rings

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