UCSF

ZINC02553965

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 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) 0.35 5.39 -47.47 2 2 1 34 176.239 1
Hi High (pH 8-9.5) 0.35 4.26 -5.01 1 2 0 29 175.231 1

Activity (Go SEA)

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