UCSF

ZINC34222261

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 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) 7.24 14.38 -16.49 1 5 0 67 439.54 2
Ref Reference (pH 7) 7.24 13.04 -15.58 1 5 0 67 439.54 2
Mid Mid (pH 6-8) 7.69 12.57 -59.31 0 5 -1 70 438.532 2
Mid Mid (pH 6-8) 7.69 11.24 -58.25 0 5 -1 70 438.532 2

Activity (Go SEA)

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