UCSF

ZINC00914952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 23 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) 4.11 10.79 -47.3 2 4 1 42 307.421 5
Hi High (pH 8-9.5) 4.11 8.32 -10.26 1 4 0 41 306.413 5
Lo Low (pH 4.5-6) 4.11 11.13 -81.45 3 4 2 43 308.429 5

Activity (Go SEA)

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