UCSF

ZINC37050051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.75 4.97 -84.17 4 4 2 45 279.428 7
Hi High (pH 8-9.5) 1.75 2.7 -46.81 3 4 1 43 278.42 7
Mid Mid (pH 6-8) 1.75 4.96 -89.72 4 4 2 45 279.428 7

Activity (Go SEA)

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