UCSF

ZINC11907900

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 34 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) 4.31 -4.53 -21.93 1 8 0 97 495.63 6

Activity (Go SEA)

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