UCSF

ZINC65331622

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 26 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) 5.44 8.73 -7.82 2 5 0 62 409.287 3
Lo Low (pH 4.5-6) 5.44 9.11 -30.34 3 5 1 64 410.295 3

Activity (Go SEA)

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