UCSF

ZINC39679638

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 24 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) 1.60 5.96 -59.56 1 6 -1 103 348.4 4
Lo Low (pH 4.5-6) 1.60 4.15 -24.42 2 6 0 101 349.408 4

Activity (Go SEA)

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