UCSF

ZINC34677085

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 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) 1.29 4.26 -93.41 4 8 2 87 443.592 9
Mid Mid (pH 6-8) 1.29 1.99 -40.82 3 8 1 86 442.584 9

Activity (Go SEA)

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