UCSF

ZINC34675448

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 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) 4.22 9.88 -17.55 1 6 0 62 489.591 9
Mid Mid (pH 6-8) 4.22 12.14 -51.11 2 6 1 63 490.599 9

Activity (Go SEA)

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