UCSF

ZINC37115478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 4.62 9.75 -55.28 1 3 -1 52 268.336 4
Lo Low (pH 4.5-6) 4.62 7.85 -7.5 2 3 0 49 269.344 4

Activity (Go SEA)

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