UCSF

ZINC00446099

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.33 4.75 -39.81 0 4 -1 61 302.162 3
Lo Low (pH 4.5-6) 3.33 5.2 -9.61 1 4 0 59 303.17 3
Lo Low (pH 4.5-6) 3.51 5.24 -10.84 1 4 0 62 303.17 2

Activity (Go SEA)

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