UCSF

ZINC36743053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 21 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) 1.38 2.73 -49.04 2 6 -1 90 323.423 4
Mid Mid (pH 6-8) 2.31 2.96 -14.42 3 6 0 92 324.431 3

Activity (Go SEA)

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