UCSF

ZINC36891801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 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) 0.35 1.07 -53.05 4 5 1 83 226.252 6
Hi High (pH 8-9.5) 0.35 -0.28 -9.85 3 5 0 79 225.244 6

Activity (Go SEA)

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