UCSF

ZINC09243518

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 37 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) 3.71 9.04 -60.64 0 8 -1 91 507.607 11
Mid Mid (pH 6-8) 4.16 11.23 -48.39 2 8 1 90 509.623 10
Mid Mid (pH 6-8) 3.13 0.3 -48.8 1 8 1 86 509.623 11
Mid Mid (pH 6-8) 3.71 11.37 -78.87 1 8 0 93 508.615 11

Activity (Go SEA)

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