UCSF

ZINC09424358

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 31 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) 1.93 6.02 -61.11 0 8 -1 97 424.429 7
Mid Mid (pH 6-8) 2.37 5.14 -27.18 1 8 0 95 425.437 6

Activity (Go SEA)

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