UCSF

ZINC09829694

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 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) 4.64 12.96 -13.97 0 7 0 92 418.478 6
Lo Low (pH 4.5-6) 4.64 13.24 -49.14 1 7 1 93 419.486 6

Activity (Go SEA)

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