UCSF

ZINC18137645

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 24 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) 4.12 9.82 -10.83 1 6 0 88 359.794 4
Hi High (pH 8-9.5) 4.19 8.48 -42.25 0 6 -1 94 358.786 4

Activity (Go SEA)

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