UCSF

ZINC34958654

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 2.02 3.84 -47.67 3 5 1 62 311.818 3
Hi High (pH 8-9.5) 2.02 2.48 -12.48 2 5 0 57 310.81 3

Activity (Go SEA)

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