UCSF

ZINC39911823

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.10 9.21 -10.58 2 6 0 78 417.509 7
Hi High (pH 8-9.5) 4.87 9.5 -53.62 0 6 -1 77 416.501 7
Hi High (pH 8-9.5) 4.87 9.81 -54.42 0 6 -1 77 416.501 7
Hi High (pH 8-9.5) 5.10 10.18 -39.37 1 6 -1 81 416.501 7

Activity (Go SEA)

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