UCSF

ZINC19863989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 15 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) 1.76 4.32 -102.26 4 3 2 41 216.369 6
Hi High (pH 8-9.5) 1.76 2.74 -30.65 3 3 1 37 215.361 6

Activity (Go SEA)

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