UCSF

ZINC36132616

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 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) 0.57 4 -57.51 2 6 -1 98 271.337 8
Lo Low (pH 4.5-6) 0.57 1.61 -8.96 3 6 0 95 272.345 8

Activity (Go SEA)

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