UCSF

ZINC31903311

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 30 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) 6.43 15.22 -12.24 0 3 0 27 390.486 6
Lo Low (pH 4.5-6) 6.43 15.62 -26.07 1 3 1 28 391.494 6

Activity (Go SEA)

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