UCSF

ZINC02789890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 26 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) 4.49 -2.68 -12.91 1 5 0 68 396.44 6
Hi High (pH 8-9.5) 4.49 -2.1 -45.79 0 5 -1 70 395.432 6

Activity (Go SEA)

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