UCSF

ZINC00236764

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 21 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) 4.12 10.88 -39.62 1 2 1 8 305.804 3
Mid Mid (pH 6-8) 4.12 8.67 -4.74 0 2 0 6 304.796 3

Activity (Go SEA)

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