UCSF

ZINC37824664

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -1.83 -4.02 -45.24 6 6 1 111 216.261 3
Hi High (pH 8-9.5) -1.83 -4.31 -15.81 5 6 0 110 215.253 3

Activity (Go SEA)

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