UCSF

ZINC32189110

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 11 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) 1.31 3.11 -7.42 3 3 0 55 147.181 0
Lo Low (pH 4.5-6) 1.31 3.57 -26.14 4 3 1 56 148.189 0

Activity (Go SEA)

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