UCSF

ZINC37034878

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) 2.73 8.68 -101.26 4 2 2 32 256.393 5
Hi High (pH 8-9.5) 2.73 8.28 -39.19 3 2 1 30 255.385 5

Activity (Go SEA)

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