UCSF

ZINC32836298

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 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) 2.87 9.45 -53.71 2 3 1 50 281.379 6
Hi High (pH 8-9.5) 2.87 8.26 -7.07 1 3 0 45 280.371 6

Activity (Go SEA)

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