UCSF

ZINC19967260

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 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) 1.91 4.07 -16.78 1 5 0 67 257.673 4
Mid Mid (pH 6-8) 1.91 4.97 -55.83 0 5 -1 70 256.665 4

Activity (Go SEA)

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