UCSF

ZINC70518000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 3.70 6.25 -41.62 3 4 1 55 296.431 9
Hi High (pH 8-9.5) 3.70 4.92 -4.93 2 4 0 51 295.423 9

Activity (Go SEA)

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