UCSF

ZINC37932470

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 20 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) 0.44 3.81 -95.33 0 9 -2 146 302.264 6
Mid Mid (pH 6-8) 0.44 2.83 -55.89 1 9 -1 144 303.272 6

Activity (Go SEA)

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