UCSF

ZINC36639479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 4.78 10.69 -20.43 1 5 0 60 382.485 7
Hi High (pH 8-9.5) 4.96 8.3 -49.54 0 5 -1 67 381.477 7

Activity (Go SEA)

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