UCSF

ZINC34553198

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 7.27 15.18 -46.35 1 5 1 49 502.656 9
Hi High (pH 8-9.5) 7.27 12.96 -12.08 0 5 0 48 501.648 9

Activity (Go SEA)

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