UCSF

ZINC44680854

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) -0.41 2.96 -83.46 4 5 2 53 268.405 4
Hi High (pH 8-9.5) -0.41 1.61 -39.67 3 5 1 49 267.397 4

Activity (Go SEA)

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