UCSF

ZINC19830965

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 32 No

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) 5.59 11.56 -10.13 0 4 0 38 435.449 4
Lo Low (pH 4.5-6) 5.59 13.57 -50.01 1 4 1 39 436.457 4

Activity (Go SEA)

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