UCSF

ZINC13813463

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 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) 2.87 7.15 -7.5 1 3 0 47 254.285 1
Hi High (pH 8-9.5) 2.87 7.9 -42.79 0 3 -1 49 253.277 1

Activity (Go SEA)

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