UCSF

ZINC37003343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.89 10 -78.1 3 4 2 34 292.471 7
Hi High (pH 8-9.5) 3.89 9.64 -37.88 2 4 1 33 291.463 7

Activity (Go SEA)

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