UCSF

ZINC19796495

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 3.23 7.78 -17.43 1 7 0 81 409.467 5
Hi High (pH 8-9.5) 3.30 6.89 -46.89 0 7 -1 87 408.459 5

Activity (Go SEA)

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