UCSF

ZINC05136808

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 24 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) 2.67 -7.24 -14.97 1 6 0 83 366.464 4
Hi High (pH 8-9.5) 2.67 -6.67 -48.76 0 6 -1 85 365.456 4

Activity (Go SEA)

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