UCSF

ZINC35735575

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 1.71 4.06 -18.77 2 5 0 67 307.419 4
Hi High (pH 8-9.5) 2.17 3.07 -44.17 2 5 0 75 307.419 4
Mid Mid (pH 6-8) 1.71 5.04 -54.59 3 5 1 72 308.427 4

Activity (Go SEA)

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