UCSF

ZINC37023848

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 2.33 6.63 -10.48 1 4 0 54 252.321 2
Lo Low (pH 4.5-6) 2.33 7.06 -38.95 2 4 1 55 253.329 2

Activity (Go SEA)

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