UCSF

ZINC12648355

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 29 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) 0.81 3.66 -60.64 2 9 -1 136 416.435 7
Hi High (pH 8-9.5) 0.81 3.74 -94.16 1 9 -2 138 415.427 7

Activity (Go SEA)

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