UCSF

ZINC32898886

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 24 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) 3.49 9.02 -20.84 1 4 0 51 340.81 6
Lo Low (pH 4.5-6) 3.49 9.36 -47.04 2 4 1 52 341.818 6

Activity (Go SEA)

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