UCSF

ZINC09271209

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 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) 5.56 13.41 -72.19 1 6 0 74 505.442 10
Hi High (pH 8-9.5) 5.56 10.88 -51.95 0 6 -1 73 504.434 10
Mid Mid (pH 6-8) 6.01 2.08 -52.19 2 6 1 71 506.45 9
Mid Mid (pH 6-8) 4.98 1.29 -51.06 1 6 1 68 506.45 10

Activity (Go SEA)

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