UCSF

ZINC22797141

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 31 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) 1.32 5.4 -47.13 3 8 1 84 425.509 7
Mid Mid (pH 6-8) 1.32 2.93 -9.63 2 8 0 83 424.501 7

Activity (Go SEA)

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