UCSF

ZINC09349821

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 32 No

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) 4.37 12.31 -70.24 1 6 0 74 501.421 9
Hi High (pH 8-9.5) 4.37 9.76 -53.78 0 6 -1 73 500.413 9
Mid Mid (pH 6-8) 4.82 12.04 -44.67 2 6 1 71 502.429 8

Activity (Go SEA)

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