UCSF

ZINC09233374

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 35 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) 3.13 10.68 -74.52 1 8 0 93 482.577 12
Mid Mid (pH 6-8) 3.58 9.68 -46.6 2 8 1 90 483.585 11

Activity (Go SEA)

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