UCSF

ZINC59681959

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 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) 6.09 12.3 -140.89 2 6 -2 121 426.594 22
Lo Low (pH 4.5-6) 6.09 10.2 -53.53 3 6 -1 118 427.602 22

Activity (Go SEA)

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