UCSF

ZINC36803968

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 17 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) 2.13 6.8 -50.5 2 3 1 43 244.261 6
Hi High (pH 8-9.5) 2.13 5.78 -7.34 1 3 0 38 243.253 6

Activity (Go SEA)

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