UCSF

ZINC37040929

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.64 -3.23 -58.77 6 6 1 117 244.296 3
Hi High (pH 8-9.5) -0.64 -3.63 -19.1 5 6 0 115 243.288 3

Activity (Go SEA)

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