UCSF

ZINC51726151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 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) 2.21 5.95 -7.12 0 3 0 43 201.225 3
Lo Low (pH 4.5-6) 2.21 6.42 -36.23 1 3 1 44 202.233 3

Activity (Go SEA)

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