UCSF

ZINC13281346

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 18 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) 3.35 6.73 -6.14 1 2 0 25 281.186 5
Lo Low (pH 4.5-6) 3.35 8.43 -109.59 3 2 2 31 283.202 5
Lo Low (pH 4.5-6) 3.35 7.17 -34.54 2 2 1 26 282.194 5

Activity (Go SEA)

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