UCSF

ZINC00200739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 25 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) 3.62 10.24 -36.1 2 4 1 47 337.443 6
Hi High (pH 8-9.5) 3.62 9.46 -7.33 1 4 0 45 336.435 6

Activity (Go SEA)

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