UCSF

ZINC70513301

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) 2.06 4.09 -37.67 3 4 1 49 293.431 6
Hi High (pH 8-9.5) 2.06 3.28 -3.42 2 4 0 45 292.423 6
Lo Low (pH 4.5-6) 2.06 4.94 -109.08 4 4 2 51 294.439 6
Lo Low (pH 4.5-6) 2.06 3.95 -34.04 3 4 1 46 293.431 6

Activity (Go SEA)

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