UCSF

ZINC19846835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 3.06 8.03 -46.75 2 4 1 57 260.361 7
Hi High (pH 8-9.5) 3.06 5.81 -14.63 1 4 0 56 259.353 7

Activity (Go SEA)

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