UCSF

ZINC41683457

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) -1.58 6.42 -109.04 3 8 -1 126 302.351 10
Lo Low (pH 4.5-6) -1.58 4.52 -68 4 8 0 123 303.359 10

Activity (Go SEA)

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