UCSF

ZINC37127367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.93 7 -11.92 1 5 0 48 281.363 4
Lo Low (pH 4.5-6) 1.93 7.14 -34.04 2 5 1 49 282.371 4

Activity (Go SEA)

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