UCSF

ZINC13281602

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 16 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) 1.30 6.11 -14.31 0 4 0 46 213.24 2
Lo Low (pH 4.5-6) 1.30 6.66 -29.19 1 4 1 47 214.248 2
Lo Low (pH 4.5-6) 1.30 7.04 -92.06 2 4 2 49 215.256 2

Activity (Go SEA)

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