UCSF

ZINC00541757

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 1.72 6.74 -13.81 2 7 0 89 326.143 2
Lo Low (pH 4.5-6) 1.90 6.2 -49.85 3 7 1 93 327.151 2

Activity (Go SEA)

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