UCSF

ZINC33863800

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 33 No

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) 1.79 8.93 -69.41 1 8 0 96 453.539 11
Lo Low (pH 4.5-6) 1.79 8.17 -48.15 2 8 1 93 454.547 11

Activity (Go SEA)

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