UCSF

ZINC36613320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 4.00 7.32 -16.53 1 6 0 81 427.233 3
Hi High (pH 8-9.5) 4.07 5.36 -35.85 0 6 -1 87 426.225 3

Activity (Go SEA)

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