UCSF

ZINC34667873

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 Yes

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) 4.59 13.47 -49.07 2 6 1 59 451.978 7
Mid Mid (pH 6-8) 4.59 11.26 -14.12 1 6 0 58 450.97 7
Mid Mid (pH 6-8) 4.59 11.58 -41.4 2 6 1 59 451.978 7
Lo Low (pH 4.5-6) 4.59 13.81 -109.51 3 6 2 60 452.986 7

Activity (Go SEA)

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