UCSF

ZINC19536991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 32 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) 2.14 2.84 -15.28 0 8 0 81 478.64 5
Mid Mid (pH 6-8) 2.14 5.19 -53.19 1 8 1 82 479.648 5

Activity (Go SEA)

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