UCSF

ZINC35720589

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 1.24 6.93 -80.31 2 5 0 74 268.357 3
Lo Low (pH 4.5-6) 1.24 5.67 -43.12 3 5 1 71 269.365 3

Activity (Go SEA)

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