UCSF

ZINC37002513

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 2.64 6.12 -41.29 4 3 1 57 279.429 5
Hi High (pH 8-9.5) 2.64 5.79 -7.09 3 3 0 55 278.421 5

Activity (Go SEA)

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