UCSF

ZINC17137840

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 36 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) 3.84 9.93 -46.44 0 8 -1 97 496.58 12
Mid Mid (pH 6-8) 3.25 10.35 -14.29 0 8 0 91 497.588 12
Mid Mid (pH 6-8) 3.84 9.9 -14.37 1 8 0 95 497.588 12

Activity (Go SEA)

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