UCSF

ZINC09362766

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 30 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) 4.08 9.25 -39.49 0 6 -1 79 449.31 7
Mid Mid (pH 6-8) 4.53 7.81 -16.68 1 6 0 76 450.318 6

Activity (Go SEA)

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