UCSF

ZINC36683357

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 Yes

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) 2.79 4.12 -37.95 4 3 1 61 227.715 4
Hi High (pH 8-9.5) -0.13 4.3 -8.41 4 3 0 61 226.707 4

Activity (Go SEA)

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