UCSF

ZINC36098192

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 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) 2.93 7.7 -41.61 2 5 1 48 367.897 11
Hi High (pH 8-9.5) 2.93 5.59 -7.14 1 5 0 47 366.889 11

Activity (Go SEA)

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