UCSF

ZINC08384348

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 31 No

Other Names:

MFCD04148058

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 0.09 -12.5 1 7 0 92 438.505 8
Mid Mid (pH 6-8) 3.50 -0.07 -13.65 0 7 0 89 438.505 8

Activity (Go SEA)

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