UCSF

ZINC07054038

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 27 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) 3.60 -2.69 -15.02 1 5 0 66 382.485 6
Hi High (pH 8-9.5) 3.60 -2.11 -47.74 0 5 -1 68 381.477 6

Activity (Go SEA)

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