UCSF

ZINC44075624

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 22 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) 5.71 12.74 -112.03 2 2 2 9 312.586 8
Hi High (pH 8-9.5) 1.73 7.58 -99.64 6 8 2 116 478.572 6
Hi High (pH 8-9.5) 5.71 10.85 -31.2 1 2 1 8 311.578 8

Vendor Notes

Note Type Comments Provided By
BP 150 / 1 TCI

Activity (Go SEA)

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