UCSF

ZINC40088660

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 22 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) 3.43 9.57 -52.24 2 6 1 79 308.402 9
Hi High (pH 8-9.5) 3.43 7.51 -10.36 1 6 0 78 307.394 9

Activity (Go SEA)

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