UCSF

ZINC00383779

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 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) 1.33 -0.91 -10.07 2 4 0 66 201.247 2
Hi High (pH 8-9.5) 1.33 -0.85 -39.04 1 4 -1 68 200.239 2

Activity (Go SEA)

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