UCSF

ZINC35511890

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 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) 4.25 10.04 -16.1 2 7 0 85 430.508 6
Lo Low (pH 4.5-6) 4.25 10.42 -36.22 3 7 1 87 431.516 6

Activity (Go SEA)

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