UCSF

ZINC34670170

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.10 12.1 -59.06 1 6 1 58 432.61 8
Hi High (pH 8-9.5) 3.10 9.91 -14.11 0 6 0 57 431.602 8

Activity (Go SEA)

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