UCSF

ZINC35752738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 29 No

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) 3.28 8.38 -21.13 2 9 0 130 411.443 6
Hi High (pH 8-9.5) 3.47 6.73 -46.81 1 9 -1 136 410.435 6

Activity (Go SEA)

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