UCSF

ZINC09349699

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) 4.40 11.78 -69.42 1 6 0 74 501.421 9
Hi High (pH 8-9.5) 4.40 9.24 -56.26 0 6 -1 73 500.413 9
Mid Mid (pH 6-8) 4.84 12.49 -47.04 2 6 1 71 502.429 8

Activity (Go SEA)

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