UCSF

ZINC13623837

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 27 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) -0.11 1.64 -12.3 2 8 0 91 374.441 6
Mid Mid (pH 6-8) -0.11 3.91 -46.35 3 8 1 92 375.449 6
Mid Mid (pH 6-8) -0.11 3.92 -46.47 3 8 1 92 375.449 6

Activity (Go SEA)

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