UCSF

ZINC20616503

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 27 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) 2.79 6 -47.62 2 6 1 63 370.521 7
Hi High (pH 8-9.5) 2.79 3.68 -15.41 1 6 0 61 369.513 7
Mid Mid (pH 6-8) 2.79 6.01 -52.63 2 6 1 63 370.521 7

Activity (Go SEA)

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