UCSF

ZINC37034882

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) 2.71 6.52 -44.43 3 2 1 31 255.385 6
Hi High (pH 8-9.5) 2.71 6.12 -3.26 2 2 0 29 254.377 6
Mid Mid (pH 6-8) 2.71 8.86 -103.55 4 2 2 32 256.393 6

Activity (Go SEA)

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