UCSF

ZINC00041257

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

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) 0.08 7.93 -23.1 2 3 1 43 254.338 2
Lo Low (pH 4.5-6) 0.08 8.48 -89.28 3 3 2 44 255.346 2

Activity (Go SEA)

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