UCSF

ZINC35501112

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 21 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) 3.29 7.08 -39.56 2 4 1 48 308.785 3
Hi High (pH 8-9.5) 3.29 5.65 -6.64 1 4 0 44 307.777 3

Activity (Go SEA)

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