UCSF

ZINC19796428

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 32 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) 2.33 7.44 -23.17 1 9 0 111 448.46 4
Hi High (pH 8-9.5) 2.51 6.38 -53.59 0 9 -1 117 447.452 4

Activity (Go SEA)

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