UCSF

ZINC44720693

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 21 No

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 6.16 -42.79 2 5 1 63 297.419 6
Hi High (pH 8-9.5) 1.99 5.02 -7.31 1 5 0 59 296.411 6

Activity (Go SEA)

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