UCSF

ZINC37401574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.61 3.77 -9.46 0 5 0 50 377.304 4
Mid Mid (pH 6-8) 2.61 5.93 -44.07 1 5 1 51 378.312 4

Activity (Go SEA)

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