UCSF

ZINC49024185

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 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) -1.29 6.19 -50.95 1 6 1 69 269.369 8
Hi High (pH 8-9.5) -1.29 4.13 -17.27 0 6 0 68 268.361 8

Activity (Go SEA)

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