UCSF

ZINC47455877

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2010 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) 1.99 10.96 -51.27 1 6 1 58 370.473 5
Hi High (pH 8-9.5) 1.99 9.13 -16.43 0 6 0 57 369.465 5

Activity (Go SEA)

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