UCSF

ZINC25147208

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 30 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) 0.82 4.21 -25.06 2 9 0 122 433.486 8
Hi High (pH 8-9.5) 1.73 3.15 -53.1 1 9 -1 125 432.478 8

Activity (Go SEA)

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