UCSF

ZINC43260985

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 3.90 4.8 -50.16 6 7 1 116 496.134 12
Hi High (pH 8-9.5) 3.90 3.48 -8.89 5 7 0 111 495.126 12

Activity (Go SEA)

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