UCSF

ZINC37840507

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.03 2.95 -14.24 1 6 0 79 300.38 7
Hi High (pH 8-9.5) 1.49 0.86 -49.23 0 6 -1 83 299.372 7

Activity (Go SEA)

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