UCSF

ZINC35410979

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 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) -0.29 7.1 -54.58 1 6 -1 91 251.262 7
Lo Low (pH 4.5-6) -0.29 7.41 -41.43 2 6 0 93 252.27 7

Activity (Go SEA)

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