UCSF

ZINC36804223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) 4.93 9.36 -41.62 2 2 1 26 355.683 5
Mid Mid (pH 6-8) 4.93 8.24 -3.95 1 2 0 21 354.675 5

Activity (Go SEA)

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