UCSF

ZINC36386771

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 29 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) 2.91 2.99 -16.17 1 7 0 87 458.005 7
Lo Low (pH 4.5-6) 2.91 5.2 -56.33 2 7 1 88 459.013 7

Activity (Go SEA)

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