UCSF

ZINC36984053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 4.45 8.79 -5.94 1 2 0 25 238.334 4
Mid Mid (pH 6-8) 4.45 9.23 -28.79 2 2 1 26 239.342 4

Activity (Go SEA)

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