UCSF

ZINC36777457

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) 0.67 -0.22 -11.55 3 6 0 97 293.348 4
Hi High (pH 8-9.5) 0.67 0.54 -44.1 2 6 -1 99 292.34 4
Lo Low (pH 4.5-6) 0.67 0.42 -37.1 4 6 1 98 294.356 4

Activity (Go SEA)

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