UCSF

ZINC36777565

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 1.29 8.16 -58.78 0 5 -1 73 275.328 4
Lo Low (pH 4.5-6) 1.29 6.12 -11.71 1 5 0 71 276.336 4
Lo Low (pH 4.5-6) 1.29 8.61 -53.17 1 5 0 75 276.336 4

Activity (Go SEA)

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