UCSF

ZINC46703764

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2010 16 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) 1.49 4.1 -35.58 2 4 1 43 227.328 10
Hi High (pH 8-9.5) 1.49 1.96 -7.64 1 4 0 42 226.32 10

Activity (Go SEA)

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