UCSF

ZINC27641395

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 26 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) 3.50 4.83 -53.03 3 5 -1 101 367.506 12
Lo Low (pH 4.5-6) 3.50 3.71 -13.69 4 5 0 98 368.514 12

Activity (Go SEA)

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