UCSF

ZINC31909615

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 5.41 14.67 -8.6 3 8 0 93 434.544 10
Lo Low (pH 4.5-6) 5.41 14.95 -32.04 4 8 1 94 435.552 10
Lo Low (pH 4.5-6) 5.41 14.97 -34.28 4 8 1 94 435.552 10

Activity (Go SEA)

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