UCSF

ZINC00011853

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 19 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) 2.74 9.86 -50.22 0 4 -1 44 267.337 3
Lo Low (pH 4.5-6) 2.01 9.79 -11.42 1 4 0 47 268.345 3

Activity (Go SEA)

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