UCSF

ZINC00024806

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 21 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) 1.80 4.09 -39.17 4 5 1 86 301.395 3
Hi High (pH 8-9.5) 1.80 3.66 -12.23 3 5 0 85 300.387 3

Activity (Go SEA)

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