UCSF

ZINC34891396

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 31 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) 4.38 6.88 -53.01 1 8 -1 108 454.919 6
Mid Mid (pH 6-8) 4.38 7.31 -49.57 2 8 0 109 455.927 6

Activity (Go SEA)

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