UCSF

ZINC00382761

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 1.53 -3.42 -19.1 1 5 0 66 318.398 5
Hi High (pH 8-9.5) 1.53 -2.85 -43.85 0 5 -1 68 317.39 5

Activity (Go SEA)

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