UCSF

ZINC36132074

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) 1.96 6.41 -5.72 2 3 0 42 257.312 2
Lo Low (pH 4.5-6) 1.96 6.88 -35.13 3 3 1 43 258.32 2

Activity (Go SEA)

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