UCSF

ZINC34669979

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 14 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) 2.81 5.23 -6.58 1 2 0 33 205.282 1
Hi High (pH 8-9.5) 3.27 3.25 -46.31 0 2 -1 36 204.274 1

Activity (Go SEA)

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