UCSF

ZINC37094822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 2.82 4.26 -46.03 3 2 1 31 292.266 6
Hi High (pH 8-9.5) 2.82 3.56 -1.77 2 2 0 29 291.258 6
Lo Low (pH 4.5-6) 2.82 6 -126.31 4 2 2 32 293.274 6

Activity (Go SEA)

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