UCSF

ZINC06361916

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2006 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) 5.00 -2.72 -8.73 1 4 0 55 333.453 8
Hi High (pH 8-9.5) 5.00 -2.14 -43.08 0 4 -1 57 332.445 8

Activity (Go SEA)

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