UCSF

ZINC36132857

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 15 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) -1.55 2.23 -48 1 6 -1 90 215.229 5
Lo Low (pH 4.5-6) -1.55 0.19 -10.96 2 6 0 87 216.237 5

Activity (Go SEA)

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