UCSF

ZINC03354604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 20 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) 1.93 5.46 -42.68 1 4 1 42 305.37 3
Hi High (pH 8-9.5) 1.93 3.09 -7.47 0 4 0 41 304.362 3

Activity (Go SEA)

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