UCSF

ZINC36733340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 0.56 2.8 -17.41 2 6 0 84 333.46 4
Hi High (pH 8-9.5) 1.01 1.65 -41.37 1 6 -1 87 332.452 4

Activity (Go SEA)

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