UCSF

ZINC31897311

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.58 9.78 -21.63 1 6 0 73 409.511 6
Lo Low (pH 4.5-6) 3.58 10.21 -53.49 2 6 1 75 410.519 6

Activity (Go SEA)

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