UCSF

ZINC13721492

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 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) 1.73 1.99 -27.51 2 10 0 139 481.552 6
Hi High (pH 8-9.5) 1.73 2.07 -70.14 1 10 -1 141 480.544 6

Activity (Go SEA)

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