UCSF

ZINC23509310

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 23 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) 1.96 5.15 -13.81 1 7 0 87 321.377 6
Mid Mid (pH 6-8) 1.96 7.2 -55.74 2 7 1 89 322.385 6

Activity (Go SEA)

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