UCSF

ZINC34987296

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 4.98 15.05 -44.7 2 4 1 42 403.594 5
Hi High (pH 8-9.5) 4.98 12.78 -6.24 1 4 0 41 402.586 5
Mid Mid (pH 6-8) 4.98 13.2 -30.51 2 4 1 42 403.594 5

Activity (Go SEA)

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